Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9A78CP495H
EPA CompTox DTXSID6060185

Structure

InChI Key SEXOVMIIVBKGGM-UHFFFAOYSA-N
Smiles [S-]c1cccc2ccccc12
InChI
InChI=1S/C10H8S/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8S1
Molecular Weight 160.03
AlogP 3.13
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 529-36-2
NORMAN SUSDAT
FDA SRS 9A78CP495H
PubChem 68259
ChemSpider 61557.0