Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T9UT3SG9V4
EPA CompTox DTXSID40190994

Structure

InChI Key QMMFBGBMARGVFC-UHFFFAOYSA-N
Smiles CS(=O)(=O)C(Cl)Cl
InChI
InChI=1S/C2H4Cl2O2S/c1-7(5,6)2(3)4/h2H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H4Cl2O2S1
Molecular Weight 161.93
AlogP 0.79
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 34.14
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 37557-96-3
NORMAN SUSDAT
FDA SRS T9UT3SG9V4
PubChem 101258
ChemSpider 91493.0