Keyword(s): Human Metabolites
Molecule Category Free-form
UNII B56ZOC898A
EPA CompTox DTXSID0060486

Structure

InChI Key FRYHCSODNHYDPU-UHFFFAOYSA-N
Smiles CCS(Cl)(=O)=O
InChI
InChI=1S/C2H5ClO2S/c1-2-6(3,4)5/h2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H5Cl1O2S1
Molecular Weight 127.97
AlogP 0.57
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 594-44-5
NORMAN SUSDAT
FDA SRS B56ZOC898A
PubChem 11667
ChemSpider 11177.0