Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7WRW5VDZ79
EPA CompTox DTXSID30188668

Structure

InChI Key KQDDQXNVESLJNO-UHFFFAOYSA-N
Smiles ClCS(=O)(=O)Cl
InChI
InChI=1S/CH2Cl2O2S/c2-1-6(3,4)5/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C1H2Cl2O2S1
Molecular Weight 147.92
AlogP 0.75
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 34.14
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 3518-65-8
NORMAN SUSDAT
FDA SRS 7WRW5VDZ79
PubChem 77054
ChemSpider 69500.0