Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CUJ92PBQ9Z
EPA CompTox DTXSID3048364

Structure

InChI Key YVKSGVDJQXLXDV-BYPYZUCNSA-N
Smiles CCOC(=O)[C@H](CS)N
InChI
InChI=1S/C5H11NO2S/c1-2-8-5(7)4(6)3-9/h4,9H,2-3,6H2,1H3/t4-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N1O2S1
Molecular Weight 149.05
AlogP -0.19
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 52.32
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 3411-58-3
NORMAN SUSDAT
FDA SRS CUJ92PBQ9Z
PubChem 13359
ChemSpider 12789.0