Keyword(s): Human Metabolites
Molecule Category Free-form
UNII NO4H2EXV6A
EPA CompTox DTXSID2063054

Structure

InChI Key SXIWNIQDOJKDGB-UHFFFAOYSA-N
Smiles ClP(=S)(Cl)c1ccccc1
InChI
InChI=1S/C6H5Cl2PS/c7-9(8,10)6-4-2-1-3-5-6/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5Cl2P1S1
Molecular Weight 209.92
AlogP 3.1
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 3497-00-5
NORMAN SUSDAT
FDA SRS NO4H2EXV6A
PubChem 19016
ChemSpider 17953.0