Keyword(s): Human Metabolites
Molecule Category Free-form
UNII R65OL68FCG
EPA CompTox DTXSID0070948

Structure

InChI Key HJARDFLUMLJZDG-UHFFFAOYSA-N
Smiles CCN1CC(=O)N(C)C1=S
InChI
InChI=1S/C6H10N2OS/c1-3-8-4-5(9)7(2)6(8)10/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10N2O1S1
Molecular Weight 158.05
AlogP 0.07
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 23.55
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 67990-13-0
NORMAN SUSDAT
FDA SRS R65OL68FCG
PubChem 73134
ChemSpider 65910.0