Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50178288

Structure

InChI Key DIVMDGZJKZFXPO-UHFFFAOYSA-N
Smiles Clc1ccc(Cl)c2c1snn2
InChI
InChI=1S/C6H2Cl2N2S/c7-3-1-2-4(8)6-5(3)9-10-11-6/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H2Cl2N2S1
Molecular Weight 203.93
AlogP 3.0
Hydrogen Bond Acceptor 3.0
Polar Surface Area 25.78
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 23616-14-0
NORMAN SUSDAT
PubChem 90213
ChemSpider 81444.0