Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FD37BLD6L2
EPA CompTox DTXSID6061236

Structure

InChI Key OXFSTTJBVAAALW-UHFFFAOYSA-N
Smiles S=c1[nH]cc[nH]1
InChI
InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4N2S1
Molecular Weight 100.01
AlogP 0.7
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 28.68
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 872-35-5
NORMAN SUSDAT
FDA SRS FD37BLD6L2
PubChem 1201386
ChemSpider 1013196.0