Sodium 2,4,6-trimethylbenzenesulfonate

C9H11NaO3SCAS 6148-75-0222.23 g/mol

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SO−OONa+
Sulfonic acid

Properties

Molecular formula
C9H11NaO3S
Molar mass
222.23 g/mol
Exact mass
222.0327 Da
logP
1.48Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
6148-75-0
SMILES
Cc1cc(C)c(S([O-])(=O)=O)c(C)c1.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

5 names
  • Benzenesulfonic acid, 2,4,6-trimethyl-, sodium salt (1:1)
  • 2-Mesitylenesulfonic acid, sodium salt
  • Benzenesulfonic acid, 2,4,6-trimethyl-, sodium salt
  • Sodium mesitylenesulfonate
  • Sodium 2-mesitylenesulfonate

Work with Sodium 2,4,6-trimethylbenzenesulfonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2,4,6-Trimethylbenzenesulfonic acid3453-83-6Free acid

Similar compounds

Sodium 2,4-dimethylbenzenesulfonate827-21-461 % similar Sodium 2,4-dimethylaniline-6-sulfonate64501-85-560 % similar Sodium 4-methylbenzenesulfonate12068-03-050 % similar Sodium xylenesulfonate1300-72-750 % similar Sodium p-toluenesulfonate657-84-150 % similar Mesitylenesulfonyl chloride773-64-850 % similar Mesitylene-2-sulphonohydrazide16182-15-346 % similar N-Fluoro-4,6-dimethylpyridinium-2-sulfonate147541-01-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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