Keyword(s): Human Metabolites
Molecule Category Free-form
UNII B8D2M2DK8R
EPA CompTox DTXSID7062116

Structure

InChI Key CQJDYPZUDYXHLM-UHFFFAOYSA-N
Smiles Sc1cccc(Cl)c1
InChI
InChI=1S/C6H5ClS/c7-5-2-1-3-6(8)4-5/h1-4,8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5Cl1S1
Molecular Weight 143.98
AlogP 2.63
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 2037-31-2
NORMAN SUSDAT
FDA SRS B8D2M2DK8R
PubChem 16257
ChemSpider 15425.0