Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7GD5283XIX
EPA CompTox DTXSID1065974

Structure

InChI Key WNVVRCKTQSCPAC-UHFFFAOYSA-N
Smiles Clc1cc(Cl)c(cc1Cl)S(=O)(=O)Cl
InChI
InChI=1S/C6H2Cl4O2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H2Cl4O2S1
Molecular Weight 277.85
AlogP 3.57
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 34.14
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 15945-07-0
NORMAN SUSDAT
FDA SRS 7GD5283XIX
PubChem 27575
ChemSpider 25665.0