Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WMG5WO16JD
EPA CompTox DTXSID3060401

Structure

InChI Key DDWXNUFFAFBJDG-UHFFFAOYSA-N
Smiles CC(=O)N1CC(=O)NC1=S
InChI
InChI=1S/C5H6N2O2S/c1-3(8)7-2-4(9)6-5(7)10/h2H2,1H3,(H,6,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H6N2O2S1
Molecular Weight 158.01
AlogP 0.09
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 52.9
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 584-26-9
NORMAN SUSDAT
FDA SRS WMG5WO16JD
PubChem 684551
ChemSpider 596365.0