Keyword(s): Human Metabolites
Molecule Category Free-form
UNII XK3JWE7VJY
EPA CompTox DTXSID40212786

Structure

InChI Key MORLSCQKZAPYFM-UHFFFAOYSA-N
Smiles CCS(=O)(=O)N(C)C
InChI
InChI=1S/C4H11NO2S/c1-4-8(6,7)5(2)3/h4H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H11N1O2S1
Molecular Weight 137.05
AlogP -0.1
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 37.38
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 6338-68-7
NORMAN SUSDAT
FDA SRS XK3JWE7VJY
PubChem 80644
ChemSpider 72829.0