Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10181132

Structure

InChI Key TXJXPZVVSLAQOQ-UHFFFAOYSA-N
Smiles COC(=O)SCl
InChI
InChI=1S/C2H3ClO2S/c1-5-2(4)6-3/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H3Cl1O2S1
Molecular Weight 125.95
AlogP 1.64
Hydrogen Bond Acceptor 3.0
Polar Surface Area 26.3
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 26555-40-8
NORMAN SUSDAT
PubChem 123417
ChemSpider 110014.0