Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EG1VSC778G
EPA CompTox DTXSID9047704

Structure

InChI Key SRUTWBWLFKSTIS-UHFFFAOYSA-N
Smiles CSSc1c(C)occ1
InChI
InChI=1S/C6H8OS2/c1-5-6(9-8-2)3-4-7-5/h3-4H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8O1S2
Molecular Weight 160.0
AlogP 2.96
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 13.14
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 65505-17-1
NORMAN SUSDAT
FDA SRS EG1VSC778G
PubChem 47649
ChemSpider 43352.0