Sodium P-toluenesulfonate

C₇H₇NaO₃SCAS 657-84-1194.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₇NaO₃S
Molar mass: 194.18 g/mol
Exact mass: 194.0014 Da
logP: 0.86Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

657-84-1

SMILES

Cc1ccc(S([O-])(=O)=O)cc1.[Na+]

InChIKey

CUYTYLVEYFUAAX-UHFFFAOYSA-N

InChI

InChI=1S/C7H8O3S.Na/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

21 names · show all

Benzenesulfonic acid, 4-methyl-, sodium salt (1:1)
p-Toluenesulfonic acid, sodium salt
Benzenesulfonic acid, 4-methyl-, sodium salt
Sodium tosylate
Sodium p-tolyl sulfonate
Sodium 4-toluenesulfonate
Sodium p-methylbenzenesulfonate
4-Toluenesulfonic acid sodium salt
Sodium 4-methylbenzenesulfonate
Eltesol ST 90
Sodium toluenesulfonate
Pilot STS 32
Toluenesulfonic acid sodium salt
Cyclophil STS 70
Eltesol ST 34
4-Methylbenzenesulfonic acid sodium salt
Naxonate ST
Taycatox N 3000
Sodium p-toluensulfonate
Chemguard NATS
Sodium methylbenzenesulfonate

Work with Sodium P-toluenesulfonate

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

Similar compounds

Sodium 4-methylbenzenesulfonate12068-03-0100 % similar Silver tosylate16836-95-681 % similar Ferric P-toluenesulfonate77214-82-581 % similar Zinc P-toluenesulfonate hydrate123334-05-472 % similar Tetraethylammonium P-toluenesulfonate733-44-868 % similar Sodium benzenesulfonate515-42-459 % similar Sodium P-aminobenzenesulfonate515-74-259 % similar Sodium 4-hydroxybenzenesulfonate825-90-159 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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