SODIUM CHLOROTOLUENESULPHONATE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key XUTJWHZMQWTUGR-UHFFFAOYSA-M
Smiles [Na+].O=S(=O)([O-])C=1C(Cl)=CC=CC1C
InChI
InChI=1/C7H7ClO3S.Na/c1-5-3-2-4-6(8)7(5)12(9,10)11;/h2-4H,1H3,(H,9,10,11);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7ClO3S
Molecular Weight 227.96
AlogP -1.44
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 57.2
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 86014-89-3
NORMAN SUSDAT
PubChem 3021095
CONTENTS