Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CY4EJP36CL
EPA CompTox DTXSID6065719

Structure

InChI Key LMSQHVXHZCNJEP-UHFFFAOYSA-N
Smiles CSSc1ccccc1
InChI
InChI=1S/C7H8S2/c1-8-9-7-5-3-2-4-6-7/h2-6H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H8S2
Molecular Weight 156.01
AlogP 3.06
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 14173-25-2
NORMAN SUSDAT
FDA SRS CY4EJP36CL
PubChem 84234
ChemSpider 9910.0