Keyword(s): Human Metabolites
Molecule Category Free-form
UNII B1HEG7V21S
EPA CompTox DTXSID1051486

Structure

InChI Key GDGIVSREGUOIJZ-UHFFFAOYSA-N
Smiles Nc1n[nH]c(=S)s1
InChI
InChI=1S/C2H3N3S2/c3-1-4-5-2(6)7-1/h(H2,3,4)(H,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H3N3S2
Molecular Weight 132.98
AlogP 0.24
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Polar Surface Area 52.53
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 2349-67-9
NORMAN SUSDAT
FDA SRS B1HEG7V21S
PubChem 2723847
ChemSpider 2006035.0