Keyword(s): Human Metabolites
Molecule Category Free-form
UNII N615783BNF
EPA CompTox DTXSID70197991

Structure

InChI Key PJBIHXWYDMFGCV-UHFFFAOYSA-N
Smiles O=S(=O)(Cl)OCCl
InChI
InChI=1/CH2Cl2O3S/c2-1-6-7(3,4)5/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula CH2Cl2O3S
Molecular Weight 163.91
AlogP 0.68
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 43.37
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 49715-04-0
NORMAN SUSDAT
FDA SRS N615783BNF
PubChem 2733556