Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T6N4PU5BSH
EPA CompTox DTXSID1031628

Structure

InChI Key WUIJTQZXUURFQU-UHFFFAOYSA-N
Smiles CS(=O)(=O)C=C
InChI
InChI=1S/C3H6O2S/c1-3-6(2,4)5/h3H,1H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6O2S1
Molecular Weight 106.01
AlogP 0.17
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 34.14
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 3680-02-2
NORMAN SUSDAT
FDA SRS T6N4PU5BSH
PubChem 19354
ChemSpider 18261.0