Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L6B4SCC7QJ
EPA CompTox DTXSID3067027

Structure

InChI Key AGWWTUWTOBEQFE-UHFFFAOYSA-N
Smiles Cn1cn[nH]c1=S
InChI
InChI=1S/C3H5N3S/c1-6-2-4-5-3(6)7/h2H,1H3,(H,5,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5N3S1
Molecular Weight 115.02
AlogP 0.1
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Polar Surface Area 30.71
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 24854-43-1
NORMAN SUSDAT
FDA SRS L6B4SCC7QJ
PubChem 1256162
ChemSpider 1054997.0