Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ELP9XZL35M
EPA CompTox DTXSID50201722

Structure

InChI Key KKHBRTFQIYIHEI-UHFFFAOYSA-N
Smiles Cc1c(C)sc(=S)[nH]1
InChI
InChI=1S/C5H7NS2/c1-3-4(2)8-5(7)6-3/h1-2H3,(H,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7N1S2
Molecular Weight 145.0
AlogP 2.05
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 12.89
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 5351-51-9
NORMAN SUSDAT
FDA SRS ELP9XZL35M
PubChem 817026
ChemSpider 713742.0