Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID0037100

Structure

InChI Key QKSKPIVNLNLAAV-UHFFFAOYSA-N
Smiles ClCCSCCCl
InChI
InChI=1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8Cl2S1
Molecular Weight 157.97
AlogP 2.2
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 505-60-2
NORMAN SUSDAT
PubChem 10461
ChemSpider 21106142.0