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

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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 2,4,6-Trimethylpyridine108-75-8Free base Sodium p-toluenesulfonate657-84-1Salt Pyridinium p-toluenesulfonate24057-28-1Salt Ferric p-toluenesulfonate77214-82-5Salt Trump IR134127-48-3Salt O-Benzylglycine toluene-p-sulphonate1738-76-7Salt L-Alanine benzyl ester tosylate42854-62-6Salt Valine benzyl ester 4-toluenesulfonate16652-76-9Salt 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate2491-17-0Salt 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate4641-47-8Salt

Similar compounds

2,5-Dimethylbenzenesulfonic acid609-54-147 % similar (1,1'-Biphenyl)-4,4'-disulfonic acid5314-37-445 % similar 2,4-Dimethylbenzenesulfonic acid88-61-944 % similar 2,4,6-Trimethylbenzenesulfonic acid3453-83-643 % similar 4-Pyridinesulphonic acid5402-20-043 % similar 2,6-Naphthalenedisulfonic acid581-75-943 % similar 4-Hydroxybenzenesulfonic acid98-67-943 % similar 4-Ethylbenzenesulfonic acid98-69-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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