Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DPU4RVB7PT
EPA CompTox DTXSID6064614

Structure

InChI Key VWYFITBWBRVBSW-UHFFFAOYSA-N
Smiles Clc1ccc(s1)C=O
InChI
InChI=1S/C5H3ClOS/c6-5-2-1-4(3-7)8-5/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H3Cl1O1S1
Molecular Weight 145.96
AlogP 2.21
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 7283-96-7
NORMAN SUSDAT
FDA SRS DPU4RVB7PT
PubChem 81700
ChemSpider 73718.0