Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MHH8GN4LBV
EPA CompTox DTXSID4064973

Structure

InChI Key KPBSJEBFALFJTO-UHFFFAOYSA-N
Smiles O=S(=O)(Cl)CCC
InChI
InChI=1/C3H7ClO2S/c1-2-3-7(4,5)6/h2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7ClO2S
Molecular Weight 141.99
AlogP 0.97
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 34.14
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 10147-36-1
NORMAN SUSDAT
FDA SRS MHH8GN4LBV
PubChem 66279