Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EPT4LKL45Z
EPA CompTox DTXSID40194391

Structure

InChI Key QTWBEVAYYDZLQL-UHFFFAOYSA-N
Smiles O=C(Cl)C1=CSC=C1
InChI
InChI=1/C5H3ClOS/c6-5(7)4-1-2-8-3-4/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H3ClOS
Molecular Weight 145.96
AlogP 2.13
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 41507-35-1
NORMAN SUSDAT
FDA SRS EPT4LKL45Z
PubChem 2776377