Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PE8RVW5SWM
EPA CompTox DTXSID00205896

Structure

InChI Key YNZQOVYRCBAMEU-UHFFFAOYSA-N
Smiles Clc1nsnc1Cl
InChI
InChI=1S/C2Cl2N2S/c3-1-2(4)6-7-5-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C2Cl2N2S1
Molecular Weight 153.92
AlogP 1.84
Hydrogen Bond Acceptor 3.0
Polar Surface Area 25.78
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 5728-20-1
NORMAN SUSDAT
FDA SRS PE8RVW5SWM
PubChem 79804
ChemSpider 72097.0