Pyridinium p-toluenesulfonate

C12H13NO3SCAS 24057-28-1251.30 g/mol

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SOOOHN
Sulfonic acid

Properties

Molecular formula
C12H13NO3S
Molar mass
251.30 g/mol
Exact mass
251.0616 Da
Melting point
113–115 °C
logP
2.32Crippen estimate
Polar surface area
67.3 Ų
H-bond donors / acceptors
1 / 3
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
24057-28-1
SMILES
Cc1ccc(S(=O)(=O)O)cc1.c1ccncc1
InChIKey
ZDYVRSLAEXCVBX-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O3S.C5H5N/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-6-5-3-1/h2-5H,1H3,(H,8,9,10);1-5H

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

Names and synonyms

10 names
  • Benzenesulfonic acid, 4-methyl-, compd. with pyridine (1:1)
  • Pyridine, p-toluenesulfonate
  • Pyridine, 4-methylbenzenesulfonate
  • Pyridinium tosylate
  • Pyridinium 4-toluenesulfonate
  • PPTS
  • Pyridinium p-tosylate
  • 4-Methylbenzenesulfonic acid pyridinium salt
  • Pyridinum p-toluenesulfonate
  • Pyridinium p-toluensulfonate

Work with Pyridinium 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

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.

p-Toluenesulfonic acid monohydrate6192-52-5Hydrate p-Toluenesulfonic acid104-15-4Free acid Pyridine110-86-1Free base Pyridine-D57291-22-7Free base, labelled Pyridinium chlorochromate26299-14-9Salt Sodium p-toluenesulfonate657-84-1Salt Sulfur trioxide pyridine complex26412-87-3Salt Collidinium P-toluenesulfonate59229-09-3Salt Ferric p-toluenesulfonate77214-82-5Salt Pyridinium chloride628-13-7Salt Trump IR134127-48-3Salt O-Benzylglycine toluene-p-sulphonate1738-76-7Salt

Similar compounds

4-Pyridinesulphonic acid5402-20-058 % similar Benzenesulfonic acid98-11-352 % similar 3-Pyridinesulfonic acid636-73-751 % similar (1,1'-Biphenyl)-4-sulfonic acid2113-68-050 % similar (1,1'-Biphenyl)-4,4'-disulfonic acid5314-37-447 % similar 2,5-Dimethylbenzenesulfonic acid609-54-145 % similar 4-Hydroxybenzenesulfonic acid98-67-944 % similar 4-Ethylbenzenesulfonic acid98-69-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dansyl acid4272-77-9

Elsewhere

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