chempirical

P-Toluenesulfonic anhydride

C14H14O5S2CAS 4124-41-8326.38 g/mol

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Properties

Molecular formula
C14H14O5S2
Molar mass
326.38 g/mol
Exact mass
326.0283 Da
Melting point
122–125 °C (decomposes)
logP
2.40Crippen estimate
Polar surface area
77.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Hazards

Danger
Corrosive (GHS05)

Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
4124-41-8
SMILES
Cc1ccc(S(=O)(=O)OS(=O)(=O)c2ccc(C)cc2)cc1
InChIKey
PDVFSPNIEOYOQL-UHFFFAOYSA-N
InChI
InChI=1S/C14H14O5S2/c1-11-3-7-13(8-4-11)20(15,16)19-21(17,18)14-9-5-12(2)6-10-14/h3-10H,1-2H3

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Names and synonyms

14 names · show all
  • Benzenesulfonic acid, 4-methyl-, 1,1′-anhydride
  • Benzenesulfonic acid, 4-methyl-, anhydride
  • p-Toluenesulfonic acid anhydride
  • 4-Toluenesulfonic anhydride
  • Tosylic anhydride
  • 4-Toluenesulfonic acid anhydride
  • Toluenesulfonic anhydride
  • 4-Methylphenylsulfonic anhydride
  • p-Toluenesulfonyl anhydride
  • 4-Methylbenzenesulfonic acid anhydride
  • Toluene-4-sulfonic acid ahnydride
  • (4-Methylphenyl)sulfonyl 4-methylbenzenesulfonate
  • 1,3-Bis(4-methylphenyl)-1,1,3,3-tetraoxo-1λ6,3λ6-dithioxane
  • 4-Methylbenzenesulfonic anhydride

Reactions

Work with P-Toluenesulfonic anhydride

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

Methyl P-toluenesulfonate80-48-869 % similar 1,3-Propanediol ditosylate5469-66-962 % similar Ethyl P-toluenesulfonate80-40-062 % similar 2-Methoxyethyl P-toluenesulfonate17178-10-861 % similar Triethylene glycol ditosylate19249-03-760 % similar 2,2′-Oxybis(ethyl tosylate)7460-82-460 % similar Propyl 4-methylbenzenesulfonate599-91-758 % similar 2-Chloroethyl P-toluenesulfonate80-41-156 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook