Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 073790YQ2G
EPA CompTox DTXSID2052736

Structure

InChI Key FCEHBMOGCRZNNI-UHFFFAOYSA-N
Smiles s1ccc2c1cccc2
InChI
InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H6S1
Molecular Weight 134.02
AlogP 2.9
Hydrogen Bond Acceptor 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 95-15-8
NORMAN SUSDAT
FDA SRS 073790YQ2G
PubChem 7221
ChemSpider 6951.0