Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90167737

Structure

InChI Key BCKAHDGFNHDQST-UHFFFAOYSA-N
Smiles COCCOS(=O)(=O)C
InChI
InChI=1S/C4H10O4S/c1-7-3-4-8-9(2,5)6/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10O4S1
Molecular Weight 154.03
AlogP -0.39
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 52.6
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 16427-44-4
NORMAN SUSDAT
PubChem 146293
ChemSpider 129043.0