Synonyms
UNII 46561PKP9T
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 VHBFEIBMZHEWSX-UHFFFAOYSA-N
Smiles CC(C)N=C=S
InChI
InChI=1S/C4H7NS/c1-4(2)5-3-6/h4H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7NS
Molecular Weight 101.17
AlogP 1.74
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 44.45
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 6.0
Assay Description Organism Bioactivity Reference
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 42.86 %
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 22.65 %

Cross References

Resources Reference
ChEMBL CHEMBL2208211
FDA SRS 46561PKP9T
PubChem 75263
SureChEMBL SCHEMBL213474
ZINC ZINC01841344