Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T9389OA11M
EPA CompTox DTXSID90147913

Structure

InChI Key VFIZBHJTOHUOEK-UHFFFAOYSA-N
Smiles CCSC(=N)N
InChI
InChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8N2S1
Molecular Weight 104.04
AlogP 0.63
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 49.87
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 1071-37-0
NORMAN SUSDAT
FDA SRS T9389OA11M
PubChem 5139
ChemSpider 4955.0