Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Q451CNJ59W
EPA CompTox DTXSID1061021

Structure

InChI Key NWYGPVZOBBHKLI-UHFFFAOYSA-N
Smiles CSSCc1ccccc1
InChI
InChI=1S/C8H10S2/c1-9-10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10S2
Molecular Weight 170.02
AlogP 3.2
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 699-10-5
NORMAN SUSDAT
FDA SRS Q451CNJ59W
PubChem 12779
ChemSpider 12254.0