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 WCEMVDXZPVFHAD-UHFFFAOYSA-N
Smiles C=CC(=O)N=C=S
InChI
InChI=1S/C4H3NOS/c1-2-4(6)5-3-7/h2H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H3NOS
Molecular Weight 113.14
AlogP 1.49
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 61.52
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 7.0
Assay Description Organism Bioactivity Reference
Nematicidal activity against Meloidogyne javanica (root-knot nematode) infected in cucumber field assessed as reduction in root gallling at 2 kg/ha by field plot experiment Meloidogyne javanica None
Nematicidal activity against Meloidogyne javanica (root-knot nematode) inoculated in cucumber plant assessed as reduction in Meloidogyne javanica (root-knot nematode)numbers at 0.5 to 2 ml/kg of soil dosed 7 days before planting by pot experiment Meloidogyne javanica None
Nematicidal activity against Meloidogyne javanica (root-knot nematode) inoculated in cucumber plant assessed as reduction in galls compound treated in soil 7 days before planting by pot experiment Meloidogyne javanica 0.48 ml
Nematicidal activity against Meloidogyne javanica (root-knot nematode) inoculated in cucumber plant assessed as reduction in galls at 2 ml/kg of soil dosed 7 days before planting by pot experiment Meloidogyne javanica None
Nematicidal activity against Meloidogyne javanica (root-knot nematode) inoculated in cucumber plant assessed as reduction in galls at 1 ml/kg of soil dosed 7 days before planting by pot experiment Meloidogyne javanica None
Nematicidal activity against Meloidogyne javanica (root-knot nematode) inoculated in cucumber plant assessed as reduction in galls at 0.5 ml/kg of soil dosed 7 days before planting by pot experiment Meloidogyne javanica None
Nematicidal activity against Meloidogyne javanica J2 (root-knot nematode) assessed as mortality rate compound treated as vapor at 25 +/- 2 degC Meloidogyne javanica 4.63 ug ml-1 Nematicidal activity against Meloidogyne javanica J2 (root-knot nematode) assessed as mortality rate compound treated as vapor at 25 +/- 2 degC Meloidogyne javanica 2.53 ug.mL-1
Nematicidal activity against Meloidogyne javanica J2 (root-knot nematode) assessed as mortality rate at 5 ug/mL (vapor concentration in the air, weight/volume) at 25 +/- 2 degC measured after 72 hr Meloidogyne javanica 92.08 %
Nematicidal activity against Meloidogyne javanica J2 (root-knot nematode) assessed as mortality rate at 5 ug/mL (vapor concentration in the air, weight/volume) at 25 +/- 2 degC measured after 48 hr Meloidogyne javanica 71.02 %

Cross References

Resources Reference
ChEMBL CHEMBL2251724