Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WX1BN24WZT
EPA CompTox DTXSID5020578

Structure

InChI Key GGLZPLKKBSSKCX-YFKPBYRVSA-N
Smiles CCSCC[C@H](N)C(=O)O
InChI
InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13N1O2S1
Molecular Weight 163.07
AlogP 0.54
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 63.32
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 13073-35-3
NORMAN SUSDAT
FDA SRS WX1BN24WZT
PubChem 6992071
ChemSpider 5970.0