Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID5068281

Structure

InChI Key CJUSGQJXURKKBQ-UHFFFAOYSA-N
Smiles ClCCS(=O)(=O)CS(=O)(=O)CCCl
InChI
InChI=1S/C5H10Cl2O4S2/c6-1-3-12(8,9)5-13(10,11)4-2-7/h1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10Cl2O4S2
Molecular Weight 267.94
AlogP 0.25
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 68.28
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 41123-59-5
NORMAN SUSDAT
PubChem 93227
ChemSpider 84167.0