Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 868496F25R
EPA CompTox DTXSID90883369

Structure

InChI Key FFEARJCKVFRZRR-SCSAIBSYSA-N
Smiles CSCC[C@@H](N)C(=O)O
InChI
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11NO2S
Molecular Weight 149.05
AlogP 0.15
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 63.32
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 348-67-4
NORMAN SUSDAT
FDA SRS 868496F25R