Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50179992

Structure

InChI Key ULZCOWMSBOJCLT-UHFFFAOYSA-N
Smiles CN1CCS(=O)(=O)CC1
InChI
InChI=1S/C5H11NO2S/c1-6-2-4-9(7,8)5-3-6/h2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N1O2S1
Molecular Weight 149.05
AlogP -0.65
Hydrogen Bond Acceptor 3.0
Polar Surface Area 37.38
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 25343-91-3
NORMAN SUSDAT
PubChem 91413
ChemSpider 82544.0