Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7QQ8C6HMR7
EPA CompTox DTXSID10227307

Structure

InChI Key FUOHKPSBGLXIRL-UHFFFAOYSA-N
Smiles ClCc1cccs1
InChI
InChI=1S/C5H5ClS/c6-4-5-2-1-3-7-5/h1-3H,4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5Cl1S1
Molecular Weight 131.98
AlogP 2.49
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 765-50-4
NORMAN SUSDAT
FDA SRS 7QQ8C6HMR7
PubChem 69830
ChemSpider 63027.0