Keyword(s): Human Metabolites
Molecule Category Free-form
UNII B8WWL2UWJ7
EPA CompTox DTXSID5068102

Structure

InChI Key DNWUINQASFDJJS-UHFFFAOYSA-N
Smiles CS(=O)(=O)c1cc(Cl)c(Cl)cc1
InChI
InChI=1S/C7H6Cl2O2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/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 38452-47-0
NORMAN SUSDAT
FDA SRS B8WWL2UWJ7
PubChem 161963
ChemSpider 142250.0