Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 63849722NS
EPA CompTox DTXSID3052694

Structure

InChI Key NGZJXCFNBVJLQN-UHFFFAOYSA-N
Smiles CC1CNC(=S)N1
InChI
InChI=1S/C4H8N2S/c1-3-2-5-4(7)6-3/h3H,2H2,1H3,(H2,5,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8N2S1
Molecular Weight 116.04
AlogP 0.26
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 24.39
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 2122-19-2
NORMAN SUSDAT
FDA SRS 63849722NS
PubChem 2777312
ChemSpider 2057596.0