chempirical

Collidinium P-toluenesulfonate

C15H19NO3SCAS 59229-09-3293.38 g/mol

Open in Covalent MOL file
NSOOOH
Sulfonic acid

Properties

Molecular formula
C15H19NO3S
Molar mass
293.38 g/mol
Exact mass
293.1086 Da
logP
3.25Crippen estimate
Polar surface area
67.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
59229-09-3
SMILES
Cc1cc(C)nc(C)c1.Cc1ccc(S(=O)(=O)O)cc1
InChIKey
VEXWNPGPVMYVDU-UHFFFAOYSA-N
InChI
InChI=1S/C8H11N.C7H8O3S/c1-6-4-7(2)9-8(3)5-6;1-6-2-4-7(5-3-6)11(8,9)10/h4-5H,1-3H3;2-5H,1H3,(H,8,9,10)

Weigh it out

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

Names and synonyms

8 names
  • Pyridine, 2,4,6-trimethyl-, 4-methylbenzenesulfonate (1:1)
  • Pyridine, 2,4,6-trimethyl-, 4-methylbenzenesulfonate
  • 2,4,6-Collidinium tosylate
  • 2,4,6-Collidinium p-toluenesulfonate
  • 2,4,6-Collidine p-toluenesulfonate
  • Collidinium tosylate
  • 2,4,6-Trimethylpyridinium p-toluenesulfonate
  • 2,4,6-Trimethylpyridin-1-ium 4-methylbenzenesulfonate

Work with Collidinium 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

P-Toluenesulfonic acid104-15-470 % similar P-Toluenesulfonic acid monohydrate6192-52-564 % similar Pyridinium P-toluenesulfonate24057-28-159 % similar 2,4,6-Trimethylpyridine108-75-850 % similar (1R,2S)-2-Fluorocyclopropylamine p-toluenesulfonate143062-84-448 % similar 2,5-Dimethylbenzenesulfonic acid609-54-147 % similar [1,1′-Biphenyl]-4,4′-disulfonic acid5314-37-445 % similar 2,4-Dimethylbenzenesulfonic acid88-61-944 % similar

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

Elsewhere

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