Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SF6BSS54L2
EPA CompTox DTXSID40222385

Structure

InChI Key LLSMWLJPWFSMCP-UHFFFAOYSA-N
Smiles ClCSc1ccccc1
InChI
InChI=1S/C7H7ClS/c8-6-9-7-4-2-1-3-5-7/h1-5H,6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7Cl1S1
Molecular Weight 158.0
AlogP 2.98
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 7205-91-6
NORMAN SUSDAT
FDA SRS SF6BSS54L2
PubChem 81623
ChemSpider 73652.0