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

Structure

InChI Key ONFOSYPQQXJWGS-BYPYZUCNSA-N
Smiles CSCC[C@H](O)C(=O)O
InChI
InChI=1/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10O3S
Molecular Weight 150.04
AlogP 0.19
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 57.53
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 48042-96-2
NORMAN SUSDAT