AMINORHODANINE

/static/temp/default.svg Search structure
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 ZBUUHLDYMKTVLT-UHFFFAOYSA-N
Smiles NN1C(=O)CSC1=S
InChI
InChI=1S/C3H4N2OS2/c4-5-2(6)1-8-3(5)7/h1,4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4N2OS2
Molecular Weight 148.21
AlogP 0.45
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 103.72
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 8.0
Assay Description Organism Bioactivity Reference
Toxicity in ip dosed Mus musculus ddY (mouse) assessed as mortality after 1 to 7 days Mus musculus 5.07 mg.kg-1
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 3 mg/kg, ip after 7 days Mus musculus 0.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 5 mg/kg, ip after 7 days Mus musculus 60.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 4 mg/kg, ip after 7 days Mus musculus 20.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 6 mg/kg, ip after 7 days Mus musculus 60.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 7 mg/kg, ip after 7 days Mus musculus 80.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 8 mg/kg, ip after 7 days Mus musculus 100.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 4 mg/kg, ip after 3 days Mus musculus 20.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 3 mg/kg, ip after 3 days Mus musculus 0.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 6 mg/kg, ip after 3 days Mus musculus 60.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 5 mg/kg, ip after 3 days Mus musculus 60.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 8 mg/kg, ip after 3 days Mus musculus 100.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 7 mg/kg, ip after 3 days Mus musculus 80.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 3 mg/kg, ip after 2 days Mus musculus 0.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 5 mg/kg, ip after 2 days Mus musculus 60.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 4 mg/kg, ip after 2 days Mus musculus 20.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 7 mg/kg, ip after 2 days Mus musculus 80.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 6 mg/kg, ip after 2 days Mus musculus 60.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 8 mg/kg, ip after 2 days Mus musculus 100.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 4 mg/kg, ip after 1 day Mus musculus 20.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 3 mg/kg, ip after 1 day Mus musculus 0.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 6 mg/kg, ip after 1 day Mus musculus 60.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 5 mg/kg, ip after 1 day Mus musculus 60.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 8 mg/kg, ip after 1 day Mus musculus 100.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 7 mg/kg, ip after 1 day Mus musculus 80.0 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll b level at 3 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 4.78 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll b level at 5 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 4.36 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll b level at 3 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 3.4 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll b level at 1 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 3.82 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll a level at 3 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 11.07 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll a level at 5 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 9.22 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll a level at 1 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 8.05 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll a level at 3 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 7.76 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 4 mg/kg, ip after 6 days Mus musculus 20.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 3 mg/kg, ip after 6 days Mus musculus 0.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 6 mg/kg, ip after 6 days Mus musculus 60.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 5 mg/kg, ip after 6 days Mus musculus 60.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 8 mg/kg, ip after 6 days Mus musculus 100.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 7 mg/kg, ip after 6 days Mus musculus 80.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 4 mg/kg, ip after 5 days Mus musculus 20.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 3 mg/kg, ip after 5 days Mus musculus 0.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 6 mg/kg, ip after 5 days Mus musculus 60.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 5 mg/kg, ip after 5 days Mus musculus 60.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 8 mg/kg, ip after 5 days Mus musculus 100.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 7 mg/kg, ip after 5 days Mus musculus 80.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 3 mg/kg, ip after 4 days Mus musculus 0.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 4 mg/kg, ip after 4 days Mus musculus 20.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 6 mg/kg, ip after 4 days Mus musculus 60.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 5 mg/kg, ip after 4 days Mus musculus 60.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 8 mg/kg, ip after 4 days Mus musculus 100.0 %
Toxicity in Mus musculus ddY (mouse) assessed as mortality at 7 mg/kg, ip after 4 days Mus musculus 80.0 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as total chlorophyll level at 5 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 13.57 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as total chlorophyll level at 3 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 15.83 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as total chlorophyll level at 1 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 11.85 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as total chlorophyll level at 3 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 11.16 %
Growth inhibition of Allium tuberosum assessed as root growth at 5 x 10'-5 M after 10 days Allium tuberosum 8.6 mm
Growth inhibition of Allium tuberosum assessed as root growth at 3 x 10'-5 M after 10 days Allium tuberosum 7.0 mm
Growth inhibition of Allium tuberosum assessed as root growth at 1 x 10'-4 M after 10 days Allium tuberosum 5.1 mm
Growth inhibition of Echinochloa esculenta assessed as root growth at 3 x 10'-5 M after 7 days Echinochloa esculenta 16.0 mm
Growth inhibition of Allium tuberosum assessed as root growth at 3 x 10'-4 M after 10 days Allium tuberosum 1.4 mm
Growth inhibition of Echinochloa esculenta assessed as root growth at 1 x 10'-4 M after 7 days Echinochloa esculenta 10.8 mm
Growth inhibition of Echinochloa esculenta assessed as root growth at 5 x 10'-5 M after 7 days Echinochloa esculenta 11.2 mm
Growth inhibition of Echinochloa esculenta assessed as root growth at 3 x 10'-4 M after 7 days Echinochloa esculenta 3.1 mm
Growth inhibition of Brassica rapa subsp. oleifera assessed as root growth at 3 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 30.8 mm
Growth inhibition of Brassica rapa subsp. oleifera assessed as root growth at 5 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 26.8 mm
Growth inhibition of Brassica rapa subsp. oleifera assessed as root growth at 1 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 14.1 mm
Growth inhibition of Brassica rapa subsp. oleifera assessed as root growth at 3 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 3.5 mm
Growth inhibition of Lactuca sativa (lettuce) assessed as root growth at 3 x 10'-5 M after 7 days Lactuca sativa 6.1 mm
Growth inhibition of Lactuca sativa (lettuce) assessed as root growth at 5 x 10'-5 M after 7 days Lactuca sativa 5.9 mm
Growth inhibition of Lactuca sativa (lettuce) assessed as root growth at 3 x 10'-4 M after 7 days Lactuca sativa 0.0 mm
Growth inhibition of Lactuca sativa (lettuce) assessed as root growth at 1 x 10'-4 M after 7 days Lactuca sativa 3.2 mm
Growth inhibition of Daucus carota (carrot) assessed as root growth at 5 x 10'-5 M after 7 days Daucus carota 10.8 mm
Growth inhibition of Daucus carota (carrot) assessed as root growth at 3 x 10'-5 M after 7 days Daucus carota 11.2 mm
Growth inhibition of Daucus carota (carrot) assessed as root growth at 1 x 10'-4 M after 7 days Daucus carota 2.4 mm
Growth inhibition of Daucus carota (carrot) assessed as root growth at 3 x 10'-4 M after 7 days Daucus carota 0.0 mm
Growth inhibition of Sesamum indicum (sesame) assessed as root growth at 3 x 10'-5 M after 7 days Sesamum indicum 9.5 mm
Growth inhibition of Sesamum indicum (sesame) assessed as root growth at 1 x 10'-5 M after 7 days Sesamum indicum 6.8 mm
Growth inhibition of Sesamum indicum (sesame) assessed as root growth at 3 x 10'-4 M after 7 days Sesamum indicum 0.0 mm
Growth inhibition of Sesamum indicum (sesame) assessed as root growth at 1 x 10'-4 M after 7 days Sesamum indicum 3.2 mm
Antifungal activity against Fusarium oxysporum OPS 118 after 7 days by agar dilution method Fusarium oxysporum 400.0 ug.mL-1
Antifungal activity against Wickerhamomyces anomalus OPS 308 after 7 days by agar dilution method Wickerhamomyces anomalus 25.0 ug.mL-1
Antifungal activity against Penicillium expansum IFO 8800 after 7 days by agar dilution method Penicillium expansum 100.0 ug.mL-1
Antifungal activity against Candida albicans ATCC 10231 after 7 days by agar dilution method Candida albicans 12.5 ug.mL-1
Antifungal activity against Trichophyton mentagrophytes IFO 32412 after 7 days by agar dilution method Trichophyton mentagrophytes 12.5 ug.mL-1
Antifungal activity against Aspergillus niger ATCC 16404 after 7 days by agar dilution method Aspergillus niger 6.25 ug.mL-1
Insecticidal activity against Musca domestica (house fly) assessed as mortality at 0.05 ug/insect after 24 hr Musca domestica 0.0 %
Insecticidal activity against Musca domestica (house fly) assessed as mortality at 0.10 ug/insect after 24 hr Musca domestica 10.0 %
Insecticidal activity against Musca domestica (house fly) assessed as mortality at 0.25 ug/insect after 24 hr Musca domestica 17.9 %
Insecticidal activity against Musca domestica (house fly) assessed as mortality at 0.5 ug/insect after 24 hr Musca domestica 36.7 %
Insecticidal activity against Musca domestica (house fly) assessed as mortality at 1 ug/insect after 24 hr Musca domestica 60.0 %
Insecticidal activity against Musca domestica (house fly) assessed as mortality at 2 ug/insect after 24 hr Musca domestica 63.3 %
Insecticidal activity against Musca domestica (house fly) assessed as mortality at 4 ug/insect after 24 hr Musca domestica 86.7 %
Insecticidal activity against Musca domestica (house fly) assessed as mortality at 5 ug/insect after 24 hr Musca domestica 100.0 %
Insecticidal activity against Culex pipiens pallens (mosquito) assessed as mortality at 0.025 ug/insect after 24 hr Culex pipiens pallens 3.3 %
Insecticidal activity against Culex pipiens pallens (mosquito) assessed as mortality at 0.05 ug/insect after 24 hr Culex pipiens pallens 16.7 %
Insecticidal activity against Culex pipiens pallens (mosquito) assessed as mortality at 0.10 ug/insect after 24 hr Culex pipiens pallens 33.3 %
Insecticidal activity against Culex pipiens pallens (mosquito) assessed as mortality at 0.25 ug/insect after 24 hr Culex pipiens pallens 53.3 %
Insecticidal activity against Culex pipiens pallens (mosquito) assessed as mortality at 0.5 ug/insect after 24 hr Culex pipiens pallens 60.0 %
Insecticidal activity against Culex pipiens pallens (mosquito) assessed as mortality at 1 ug/insect after 24 hr Culex pipiens pallens 86.7 %
Insecticidal activity against Culex pipiens pallens (mosquito) assessed as mortality at 2 ug/insect after 24 hr Culex pipiens pallens 100.0 %
Insecticidal activity against Culex pipiens pallens (mosquito) assessed as mortality at 4 ug/insect after 24 hr Culex pipiens pallens 100.0 %
Insecticidal activity against Culex pipiens pallens (mosquito) assessed as mortality at 5 ug/insect after 24 hr Culex pipiens pallens 100.0 %

Cross References

Resources Reference
ChEMBL CHEMBL390330
PubChem 74033
SureChEMBL SCHEMBL37238
ZINC ZINC01083111
CONTENTS