Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20181365

Structure

InChI Key SYDUUJIIXIOTQT-UHFFFAOYSA-N
Smiles Cc1csc(Cl)n1
InChI
InChI=1S/C4H4ClNS/c1-3-2-7-4(5)6-3/h2H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4Cl1N1S1
Molecular Weight 132.98
AlogP 2.1
Hydrogen Bond Acceptor 2.0
Polar Surface Area 12.89
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 26847-01-8
NORMAN SUSDAT
PubChem 3015328
ChemSpider 80122.0