Keyword(s): Human Metabolites
Molecule Category Free-form
UNII NP9ZGR69NT
EPA CompTox DTXSID80207313

Structure

InChI Key HCDLDZCJYMCKQH-UHFFFAOYSA-N
Smiles [S-]c1cc([S-])c(Cl)cc1
InChI
InChI=1S/C6H5ClS2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5Cl1S2
Molecular Weight 175.95
AlogP 2.92
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 58593-78-5
NORMAN SUSDAT
FDA SRS NP9ZGR69NT
PubChem 94119
ChemSpider 84940.0