Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID6065420

Structure

InChI Key JFCHSQDLLFJHOA-UHFFFAOYSA-N
Smiles CN(C)S(Cl)(=O)=O
InChI
InChI=1S/C2H6ClNO2S/c1-4(2)7(3,5)6/h1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H6Cl1N1O2S1
Molecular Weight 142.98
AlogP 0.03
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 37.38
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 13360-57-1
NORMAN SUSDAT
PubChem 83372
ChemSpider 75231.0