Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90183694

Structure

InChI Key FPVUWZFFEGYCGB-UHFFFAOYSA-N
Smiles Cc1n[nH]c(=S)s1
InChI
InChI=1S/C3H4N2S2/c1-2-4-5-3(6)7-2/h1H3,(H,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4N2S2
Molecular Weight 131.98
AlogP 1.14
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Polar Surface Area 25.78
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 29490-19-5
NORMAN SUSDAT
PubChem 1810203
ChemSpider 1414905.0