Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YR1EP0V0MA
EPA CompTox DTXSID2057788

Structure

InChI Key PWOBDMNCYMQTCE-UHFFFAOYSA-N
Smiles Sc1c(Cl)cccc1
InChI
InChI=1S/C6H5ClS/c7-5-3-1-2-4-6(5)8/h1-4,8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5Cl1S1
Molecular Weight 143.98
AlogP 2.63
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 6320-03-2
NORMAN SUSDAT
FDA SRS YR1EP0V0MA
PubChem 80599
ChemSpider 72790.0