Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID3065451

Structure

InChI Key SKYYTGUCWARUCL-UHFFFAOYSA-N
Smiles CCNC(=S)NN
InChI
InChI=1S/C3H9N3S/c1-2-5-3(7)6-4/h2,4H2,1H3,(H2,5,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H9N3S1
Molecular Weight 119.05
AlogP -0.24
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 50.41
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 13431-34-0
NORMAN SUSDAT
PubChem 1551780
ChemSpider 1268034.0