PHORATE

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Synonyms
UNII 3W54X3W9IV
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 BULVZWIRKLYCBC-UHFFFAOYSA-N
Smiles CCOP(=S)(OCC)SCSCC
InChI
InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H17O2PS3
Molecular Weight 260.38
AlogP 2.93
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 110.96
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 13.0
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 2.6 /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 3.0 /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 3.0 /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 4.36 /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 2.64 /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 3.32 /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 1.78 /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 2.58 /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 45.0 %
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 36.0 %
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 0.9 %
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 28.0 %
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 17.0 %
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 1.0 %
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 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 55 days post dose following field application at 1 to 2 kg of active ingredient/hectare Meloidogyne incognita 44.0 %
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 3.2 /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 3.22 /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 2.7 /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 3.95 /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 2.85 /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 3.0 /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 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 1.8 /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 2.6 /cm3
Drug level in Solanum lycopersicum (tomato) green seeds measured 120 days post dose following field application at 2 kg of active ingredient/hectare Solanum lycopersicum 0.004 ug/g
Drug level in Solanum lycopersicum (tomato) green seeds measured 100 days post dose following field application at 2 kg of active ingredient/hectare Solanum lycopersicum 0.014 ug/g
Drug level in Solanum lycopersicum (tomato) green seeds measured 90 days post dose following field application at 2 kg of active ingredient/hectare Solanum lycopersicum 0.022 ug/g
Drug level in Solanum lycopersicum (tomato) green seeds measured 120 days post dose following field application at 1 kg of active ingredient/hectare Solanum lycopersicum 0.003 ug/g
Drug level in Solanum lycopersicum (tomato) green seeds measured 100 days post dose following field application at 1 kg of active ingredient/hectare Solanum lycopersicum 0.01 ug/g
Drug level in Solanum lycopersicum (tomato) green seeds measured 90 days post dose following field application at 1 kg of active ingredient/hectare Solanum lycopersicum 0.014 ug/g
Drug level in Cicer arietinum (chickpea) green seeds measured 120 days post dose following field application at 2 kg of active ingredient/hectare Cicer arietinum 0.006 ug/g
Drug level in Cicer arietinum (chickpea) green seeds measured 100 days post dose following field application at 2 kg of active ingredient/hectare Cicer arietinum 0.019 ug/g
Drug level in Cicer arietinum (chickpea) green seeds measured 90 days post dose following field application at 2 kg of active ingredient/hectare Cicer arietinum 0.056 ug/g
Drug level in Cicer arietinum (chickpea) green seeds measured 120 days post dose following field application at 1 kg of active ingredient/hectare Cicer arietinum 0.003 ug/g
Drug level in Cicer arietinum (chickpea) green seeds measured 100 days post dose following field application at 1 kg of active ingredient/hectare Cicer arietinum 0.008 ug/g
Drug level in Cicer arietinum (chickpea) green seeds measured 90 days post dose following field application at 1 kg of active ingredient/hectare Cicer arietinum 0.02 ug/g
Solubility in water None 50.0 ug.mL-1
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 0.68 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 0.41 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 1.45 ug/g
Drug level in Solanum lycopersicum (tomato) roots measured 15 days post dose following field application at 1 and 2 kg of active ingredient/hectare Solanum lycopersicum 1.69 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 2.31 ug/g
Toxicity in Rattus norvegicus (rat) Rattus norvegicus 3.2 mg.kg-1

Cross References

Resources Reference
ChEMBL CHEMBL510014
FDA SRS 3W54X3W9IV
PubChem 4790
SureChEMBL SCHEMBL26312
ZINC ZINC02040889
CONTENTS