chempirical

Triphenylsulfonium triflate

C19H15F3O3S2CAS 66003-78-9412.44 g/mol

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Alkyl halideSulfonic acid

Properties

Molecular formula
C19H15F3O3S2
Molar mass
412.44 g/mol
Exact mass
412.0415 Da
logP
4.83Crippen estimate
Polar surface area
57.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
66003-78-9
SMILES
O=S(=O)([O-])C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIKey
FAYMLNNRGCYLSR-UHFFFAOYSA-M
InChI
InChI=1S/C18H15S.CHF3O3S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)8(5,6)7/h1-15H;(H,5,6,7)/q+1;/p-1

Weigh it out

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

Names and synonyms

12 names
  • Sulfonium, triphenyl-, 1,1,1-trifluoromethanesulfonate (1:1)
  • Sulfonium, triphenyl-, salt with trifluoromethanesulfonic acid (1:1)
  • Methanesulfonic acid, trifluoro-, ion(1-), triphenylsulfonium
  • Triphenylsulfonium trifluoromethanesulfonate
  • Triphenylsulfonium trifluoromethylsulfonate
  • TPS 105
  • WPAG 281
  • Triphenylsulfonium perfluoromethanesulfonate
  • SI 300
  • Triphenylsulfonium trifluoromethylsulfate
  • TPS-TF
  • San-aid SI 300

Work with Triphenylsulfonium triflate

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

(4-Methoxyphenyl)diphenylsulfonium triflate116808-67-473 % similar Diphenyliodonium triflate66003-76-764 % similar Triphenylsulfonium nonafluorobutanesulfonate144317-44-261 % similar 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate129946-88-955 % similar Barium bis(trifluoromethanesulfonate)2794-60-755 % similar N-Fluoropyridinium triflate107263-95-651 % similar Lutetium(III) trifluoromethanesulfonate126857-69-050 % similar Indium(III) trifluoromethanesulfonate128008-30-050 % similar

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

Elsewhere

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