Synonyms
UNII CTE370DL3U
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 IHQDGXUYTSZGOG-UHFFFAOYSA-N
Smiles CSCCCCN=C=S
InChI
InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11NS2
Molecular Weight 161.29
AlogP 2.27
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 69.75
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 9.0
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 50.25 %
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 22.33 %

Cross References

Resources Reference
ChEMBL CHEMBL2151143
FDA SRS CTE370DL3U
PubChem 78160
SureChEMBL SCHEMBL435774
ZINC ZINC02383009