Keyword(s): Human Metabolites
Molecule Category Free-form
UNII BGW3VN9CJC
EPA CompTox DTXSID50162425

Structure

InChI Key KQFADYXPELMVHE-UHFFFAOYSA-N
Smiles Cc1c(Cl)scc1
InChI
InChI=1S/C5H5ClS/c1-4-2-3-7-5(4)6/h2-3H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5Cl1S1
Molecular Weight 131.98
AlogP 2.71
Hydrogen Bond Acceptor 1.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 14345-97-2
NORMAN SUSDAT
FDA SRS BGW3VN9CJC
PubChem 84365
ChemSpider 76103.0