Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70199197

Structure

InChI Key IIACAQOZFSAAAK-UHFFFAOYSA-N
Smiles ClC(Cl)SC(Cl)Cl
InChI
InChI=1S/C2H2Cl4S/c3-1(4)7-2(5)6/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H2Cl4S1
Molecular Weight 197.86
AlogP 3.24
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 51174-93-7
NORMAN SUSDAT
PubChem 251539
ChemSpider 142564.0