Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10177378

Structure

InChI Key QIYHQTUAQZMJGS-UHFFFAOYSA-N
Smiles CS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChI
InChI=1S/C7H6Cl2O2S/c1-12(10,11)7-3-5(8)2-6(9)4-7/h2-4H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6Cl2O2S1
Molecular Weight 223.95
AlogP 2.4
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 34.14
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 22821-89-2
NORMAN SUSDAT
PubChem 89855
ChemSpider 81108.0