Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U0ST94Z07Y
EPA CompTox DTXSID60210325

Structure

InChI Key JYKYYPPZLPVIBY-UHFFFAOYSA-N
Smiles Cc1c(cccc1)N=C=S
InChI
InChI=1S/C8H7NS/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H7N1S1
Molecular Weight 149.03
AlogP 2.73
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 12.36
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 614-69-7
NORMAN SUSDAT
FDA SRS U0ST94Z07Y
PubChem 69195
ChemSpider 62409.0