Keyword(s): Human Metabolites
Molecule Category Free-form
UNII X728LGW6N4
EPA CompTox DTXSID6064034

Structure

InChI Key QIULLHZMZMGGFH-UHFFFAOYSA-N
Smiles Sc1c(Cl)ccc(Cl)c1
InChI
InChI=1S/C6H4Cl2S/c7-4-1-2-5(8)6(9)3-4/h1-3,9H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4Cl2S1
Molecular Weight 177.94
AlogP 3.28
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 5858-18-4
NORMAN SUSDAT
FDA SRS X728LGW6N4
PubChem 79965
ChemSpider 11500.0