Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U9MSY3N8YB
EPA CompTox DTXSID0059532

Structure

InChI Key ZGRWZUDBZZBJQB-UHFFFAOYSA-N
Smiles SC(=S)c1ccccc1
InChI
InChI=1S/C7H6S2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6S2
Molecular Weight 153.99
AlogP 2.29
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 121-68-6
NORMAN SUSDAT
FDA SRS U9MSY3N8YB
PubChem 67141
ChemSpider 60487.0