Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TA2DNZ4W48
EPA CompTox DTXSID30184428

Structure

InChI Key KLEYVGWAORGTIT-UHFFFAOYSA-N
Smiles Clc1nccs1
InChI
InChI=1S/C3H2ClNS/c4-3-5-1-2-6-3/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H2Cl1N1S1
Molecular Weight 118.96
AlogP 1.8
Hydrogen Bond Acceptor 2.0
Polar Surface Area 12.89
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 3034-52-4
NORMAN SUSDAT
FDA SRS TA2DNZ4W48
PubChem 76429
ChemSpider 68901.0