CARBOSULFAN

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UNII V1DGN4AK6G
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key JLQUFIHWVLZVTJ-UHFFFAOYSA-N
Smiles CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12
InChI
InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H32N2O3S
Molecular Weight 380.54
AlogP 5.4
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 10.0
Polar Surface Area 67.31
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 26.0
Assay Description Organism Bioactivity Reference
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested tomato plants plots assessed as nematode population per cm3 soil measured 110 days post dose following field application at 2 kg of active ingredient/hectare (Rvb = 1.38 to 2.11 nematode population/cm3 soil) Rotylenchulus reniformis 1.8 /cm3
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested tomato plants plots assessed as nematode population per cm3 soil measured 110 days post dose following field application at 1 kg of active ingredient/hectare (Rvb = 1.38 to 2.11 nematode population/cm3 soil) Rotylenchulus reniformis 2.2 /cm3
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested tomato plants plots assessed as nematode population per cm3 soil measured 110 days post dose following field application at 2 kg of active ingredient/hectare (Rvb = 2.24 to 3.51 J2 population/cm3 soil) Meloidogyne incognita 1.9 /cm3
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested tomato plants plots assessed as nematode population per cm3 soil measured 110 days post dose following field application at 1 kg of active ingredient/hectare (Rvb = 2.24 to 3.51 J2 population/cm3 soil) Meloidogyne incognita 2.86 /cm3
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested tomato plants plots assessed as nematode population per cm3 soil measured 55 days post dose following field application at 2 kg of active ingredient/hectare (Rvb = 1.38 to 2.11 nematode population/cm3 soil) Rotylenchulus reniformis 3.05 /cm3
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested tomato plants plots assessed as nematode population per cm3 soil measured 55 days post dose following field application at 1 kg of active ingredient/hectare (Rvb = 1.38 to 2.11 nematode population/cm3 soil) Rotylenchulus reniformis 4.03 /cm3
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested tomato plants plots assessed as nematode population per cm3 soil measured 55 days post dose following field application at 2 kg of active ingredient/hectare (Rvb = 2.24 to 3.51 J2 population/cm3 soil) Meloidogyne incognita 1.51 /cm3
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested tomato plants plots assessed as nematode population per cm3 soil measured 55 days post dose following field application at 1 kg of active ingredient/hectare (Rvb = 2.24 to 3.51 J2 population/cm3 soil) Meloidogyne incognita 2.22 /cm3
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested tomato plants plots assessed as reduction in nematode population measured 110 days post dose following field application at 1 to 2 kg of active ingredient/hectare Rotylenchulus reniformis 59.0 %
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested in tomato plants plots assessed as reduction in nematode population measured 55 days post dose following field application at 1 to 2 kg of active ingredient/hectare Rotylenchulus reniformis 23.0 %
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested chickpea plants plots assessed as reduction in nematode population measured 110 days post dose following field application at 1 to 2 kg of active ingredient/hectare Rotylenchulus reniformis 23.0 %
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested chickpea plants plots assessed as reduction in nematode population measured 55 days post dose following field application at 1 to 2 kg of active ingredient/hectare Rotylenchulus reniformis 37.0 %
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested tomato plants plots assessed as reduction in nematode population measured 110 days post dose following field application at 1 to 2 kg of active ingredient/hectare Meloidogyne incognita 45.0 %
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested chickpea plants plots assessed as reduction in nematode population measured 110 days post dose following field application at 1 to 2 kg of active ingredient/hectare Meloidogyne incognita 15.0 %
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested tomato plants plots assessed as reduction in nematode population measured 55 days post dose following field application at 1 to 2 kg of active ingredient/hectare Meloidogyne incognita 52.0 %
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested chickpea plants plots assessed as reduction in nematode population measured 55 days post dose following field application at 1 to 2 kg of active ingredient/hectare Meloidogyne incognita 33.0 %
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested chickpea plants plots assessed as nematode population per cm3 soil measured 110 days post dose following field application at 2 kg of active ingredient/hectare (Rvb = 1.8 to 3.15 nematode population/cm3 soil) Rotylenchulus reniformis 1.0 /cm3
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested chickpea plants plots assessed as nematode population per cm3 soil measured 110 days post dose following field application at 1 kg of active ingredient/hectare (Rvb = 1.8 to 3.15 nematode population/cm3 soil) Rotylenchulus reniformis 2.5 /cm3
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested chickpea plants plots assessed as nematode population per cm3 soil measured 110 days post dose following field application at 2 kg of active ingredient/hectare (Rvb = 2.45 to 4.3 J2 population/cm3 soil) Meloidogyne incognita 1.0 /cm3
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested chickpea plants plots assessed as nematode population per cm3 soil measured 110 days post dose following field application at 1 kg of active ingredient/hectare (Rvb = 2.45 to 4.3 J2 population/cm3 soil) Meloidogyne incognita 3.4 /cm3
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested chickpea plants plots assessed as nematode population per cm3 soil measured 55 days post dose following field application at 2 kg of active ingredient/hectare (Rvb = 1.8 to 3.15 nematode population/cm3 soil) Rotylenchulus reniformis 2.0 /cm3
Nematicidal activity against Rotylenchulus reniformis (reniform nematode) infested chickpea plants plots assessed as nematode population per cm3 soil measured 55 days post dose following field application at 1 kg of active ingredient/hectare (Rvb = 1.8 to 3.15 nematode population/cm3 soil) Rotylenchulus reniformis 2.65 /cm3
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested chickpea plants plots assessed as nematode population per cm3 soil measured 55 days post dose following field application at 2 kg of active ingredient/hectare (Rvb = 2.45 to 4.3 J2 population/cm3 soil) Meloidogyne incognita 1.85 /cm3
Nematicidal activity against root-knot nematode Meloidogyne incognita J2 (root-knot nematode) infested chickpea plants plots assessed as nematode population per cm3 soil measured 55 days post dose following field application at 1 kg of active ingredient/hectare (Rvb = 2.45 to 4.3 J2 population/cm3 soil) Meloidogyne incognita 3.1 /cm3
Cmax in Solanum lycopersicum (tomato) shoots measured 45 days post dose following field application at 1 and 2 kg of active ingredient/hectare Solanum lycopersicum 31.6 ug/g
Cmax in Cicer arietinum (chickpea) shoots measured 45 days post dose following field application at 1 and 2 kg of active ingredient/hectare Cicer arietinum 24.8 ug/g
Drug translocation in Solanum lycopersicum (tomato) roots assessed as mean drug level measured post dose following field application at 1 and 2 kg of active ingredient/hectare Solanum lycopersicum 9.52 ug/g
Drug absorption in Solanum lycopersicum (tomato) roots assessed as mean drug level measured post dose following field application at 1 and 2 kg of active ingredient/hectare Solanum lycopersicum 0.36 ug/g
Drug level in Cicer arietinum (chickpea) roots measured 15 days post dose following field application at 1 and 2 kg of active ingredient/hectare Cicer arietinum 0.53 ug/g
Toxicity in Rattus norvegicus (rat) Rattus norvegicus 209.0 mg.kg-1
Risk quotient, recommended field rate (g/ha) to LC50 for Trichogramma nubilale (mg/L) Trichogramma nubilale 189.5
Contact toxicity against Trichogramma nubilale assessed as mortality after 24 hr by modified slight dry film method Trichogramma nubilale 7.4 mgAi/L Contact toxicity against Trichogramma nubilale assessed as mortality after 24 hr by modified slight dry film method Trichogramma nubilale 0.95 mgAi/L
Ratio of LC50 for third-instar Apolygus lucorum reared in asparagus bean pod at 15 degC to LC50 for third-instar Apolygus lucorum reared in asparagus bean pod at 25 degC Apolygus lucorum 1.37
Ratio of LC50 for third-instar Apolygus lucorum reared in asparagus bean pod at 15 degC to LC50 for third-instar Apolygus lucorum reared in asparagus bean pod at 35 degC Apolygus lucorum 1.75
Ratio of LC50 for third-instar Apolygus lucorum reared in asparagus bean pod at 15 degC to LC50 for third-instar Apolygus lucorum reared in asparagus bean pod at 30 degC Apolygus lucorum 1.12
Ratio of LC50 for third-instar Apolygus lucorum reared in asparagus bean pod at 15 degC to LC50 for third-instar Apolygus lucorum reared in asparagus bean pod at 20 degC Apolygus lucorum 2.36
Insecticidal activity against third-instar Apolygus lucorum reared in asparagus bean pod assessed as mortality administered by dipping pods in compound solution measured after 48 hr at 35 degC Apolygus lucorum 156.75 ug.mL-1
Insecticidal activity against third-instar Apolygus lucorum reared in asparagus bean pod assessed as mortality administered by dipping pods in compound solution measured after 48 hr at 30 degC Apolygus lucorum 246.4 ug.mL-1
Insecticidal activity against third-instar Apolygus lucorum reared in asparagus bean pod assessed as mortality administered by dipping pods in compound solution measured after 48 hr at 25 degC Apolygus lucorum 199.4 ug.mL-1
Insecticidal activity against third-instar Apolygus lucorum reared in asparagus bean pod assessed as mortality administered by dipping pods in compound solution measured after 48 hr at 20 degC Apolygus lucorum 116.07 ug.mL-1
Insecticidal activity against third-instar Apolygus lucorum reared in asparagus bean pod assessed as mortality administered by dipping pods in compound solution measured after 48 hr at 15 degC Apolygus lucorum 274.15 ug.mL-1
Ratio of EC50 for Daphnia magna to EC50 for first instar larvae of Cheumatopsyche brevilineata None -0.16
Insecticidal activity against first-instar larvae of Cheumatopsyche brevilineata after 48 hr Cheumatopsyche 0.00149 ug.mL-1
Octanol-water partition coefficient, log KOW of the compound None 5.4
Insecticidal activity against Daphnia pulex after 48 hr Daphnia pulex 0.00103 ug.mL-1
Resistance ratio of LC50 for Bemisia tabaci (sweet potato whitefly) infested poinsettia leaves to LC50 for Bemisia tabaci (sweet potato whitefly) infested cabbage leaves Bemisia tabaci 5.36
Insecticidal activity against Bemisia tabaci (sweet potato whitefly) infested cabbage leaves assessed as mortality after 48 hr by leaf dip method Bemisia tabaci 696.0 ug.mL-1
Resistance ratio of LC50 for Bemisia tabaci (sweet potato whitefly) infested poinsettia leaves to LC50 for Bemisia tabaci (sweet potato whitefly) infested tomato leaves Bemisia tabaci 6.36
Insecticidal activity against Bemisia tabaci (sweet potato whitefly) infested tomato leaves assessed as mortality after 48 hr by leaf dip method Bemisia tabaci 586.0 ug.mL-1
Insecticidal activity against Bemisia tabaci (sweet potato whitefly) infested cucumber leaves assessed as mortality after 48 hr by leaf dip method Bemisia tabaci 3086.0 ug.mL-1
Insecticidal activity against Bemisia tabaci (sweet potato whitefly) infested cotton leaves assessed as mortality after 48 hr by leaf dip method Bemisia tabaci 2877.0 ug.mL-1
Insecticidal activity against Bemisia tabaci (sweet potato whitefly) infested poinsettia leaves assessed as mortality after 48 hr by leaf dip method Bemisia tabaci 3727.0 ug.mL-1
Ratio of LD50 for Laodelphax striatella Kumamoto (small brown planthopper) to LD50 for susceptible Laodelphax striatella Laodelphax striatella 19.0
Insecticidal activity against Laodelphax striatella Ibaraki (small brown planthopper) assessed as mortality compound treated topically on dorsal side Laodelphax striatella None
Insecticidal activity against Laodelphax striatella Kumamoto (small brown planthopper) assessed as mortality compound treated topically on dorsal side Laodelphax striatella 42.0 mg.kg-1
Insecticidal activity against susceptible Laodelphax striatella (small brown planthopper) assessed as mortality compound treated topically on dorsal side Laodelphax striatella 2.2 mg.kg-1
Resistant factor, ratio of LC50 for Aphis gossypii clone Ivo (cotton aphid) to Aphis gossypii clone NM1 Aphis gossypii 0.5
Resistant factor, ratio of LC50 for Aphis gossypii clone Burk (cotton aphid) to Aphis gossypii clone NM1 Aphis gossypii 0.7
Resistant factor, ratio of LC50 for Aphis gossypii clone Auber (cotton aphid) to Aphis gossypii clone NM1 Aphis gossypii 0.9
Resistant factor, ratio of LC50 for Aphis gossypii clone PsP4 (cotton aphid) to Aphis gossypii clone NM1 Aphis gossypii 0.9
Resistant factor, ratio of LC50 for Aphis gossypii clone C4 (cotton aphid) to Aphis gossypii clone NM1 Aphis gossypii 1.2
Resistant factor, ratio of LC50 for Aphis gossypii clone C9 (cotton aphid) to Aphis gossypii clone NM1 Aphis gossypii 1.2
Insecticidal activity against Aphis gossypii clone Ivo (cotton aphid) in cotton plant leaf assessed as mortality after 24 hr by leaf disk assay Aphis gossypii 2.2 ugAi/ml
Insecticidal activity against Aphis gossypii clone Burk (cotton aphid) in cotton plant leaf assessed as mortality after 24 hr by leaf disk assay Aphis gossypii 3.1 ugAi/ml
Insecticidal activity against Aphis gossypii clone Auber (cotton aphid) in egg plant leaf assessed as mortality after 24 hr by leaf disk assay Aphis gossypii 4.0 ugAi/ml
Insecticidal activity against Aphis gossypii clone PsP4 (cotton aphid) in pepper plant leaf assessed as mortality after 24 hr by leaf disk assay Aphis gossypii 4.2 ugAi/ml
Insecticidal activity against Aphis gossypii clone C4 (cotton aphid) in zucchini or squash leaf assessed as mortality after 24 hr by leaf disk assay Aphis gossypii 5.7 ugAi/ml
Insecticidal activity against Aphis gossypii clone C9 (cotton aphid) in zucchini or squash leaf assessed as mortality after 24 hr by leaf disk assay Aphis gossypii 5.6 ugAi/ml
Insecticidal activity against Aphis gossypii clone NM1 (cotton aphid) in zucchini or squash leaf assessed as mortality after 24 hr by leaf disk assay Aphis gossypii 4.6 ugAi/ml
Cross resistant, ratio of LC50 for B-biotype thiamethoxam-resistant Bemisia tabaci (sweet potato whitefly) to LC50 for B-biotype thiamethoxam-sensitive Bemisia tabaci (sweet potato whitefly) Bemisia tabaci 4.43
Insecticidal activity against B-biotype thiamethoxam-resistant Bemisia tabaci (sweet potato whitefly) in cabbage leaf assessed as mortality after 48 hr by leaf disk assay Bemisia tabaci 1957.0 ug.mL-1
Insecticidal activity against B-biotype thiamethoxam-sensitive Bemisia tabaci (sweet potato whitefly) in cabbage leaf assessed as mortality after 48 hr by leaf disk assay Bemisia tabaci 441.0 ug.mL-1

Cross References

Resources Reference
ChEMBL CHEMBL2228572
FDA SRS V1DGN4AK6G
PubChem 41384
SureChEMBL SCHEMBL73138
ZINC ZINC05513691
CONTENTS