chempirical

Bis[4-(diphenylsulfonio)phenyl] sulfide bis(hexafluorophosphate)

C36H28F6PS3+CAS 74227-35-3701.76 g/mol

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Sulfide

Properties

Molecular formula
C36H28F6PS3+
Molar mass
701.76 g/mol
Exact mass
701.0995 Da
Melting point
230–240 °C
logP
13.41Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
8

Identifiers

CAS number
74227-35-3
SMILES
F[P-](F)(F)(F)(F)F.c1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIKey
WCTIIPTWNGPRAJ-UHFFFAOYSA-N
InChI
InChI=1S/C36H28S3.F6P/c1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34;1-7(2,3,4,5)6/h1-28H;/q+2;-1

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Names and synonyms

10 names
  • Sulfonium, S,S′-(thiodi-4,1-phenylene)bis[S,S-diphenyl-, hexafluorophosphate(1-) (1:2)
  • Sulfonium, (thiodi-4,1-phenylene)bis[diphenyl-, bis[hexafluorophosphate(1-)]
  • Phosphate(1-), hexafluoro-, (thiodi-4,1-phenylene)bis[diphenylsulfonium] (2:1)
  • KI 85
  • Degacure KI 85
  • Adeka optomer SP 55
  • SP 55
  • Bis[4-(diphenylsulfonium)phenyl] sulfide bis(hexafluorophosphate)
  • Degacure KI 85B
  • Thiobis(4,1-phenylene)-S,S,S′,S′-(tetraphenyldisulfonium) bis(hexafluorophosphate)

Work with Bis[4-(diphenylsulfonio)phenyl] sulfide bis(hexafluorophosphate)

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

4,4′-Bis[diphenylsulfonio]phenylsulfide bishexafluoroantimonate89452-37-961 % similar (p-Thiophenoxyphenyl)diphenylsulfonium hexafluoroantimonate71449-78-059 % similar Triphenylsulfonium chloride4270-70-643 % similar Diphenyliodonium hexafluorophosphate58109-40-339 % similar 4-(Phenylthio)benzaldehyde1208-88-434 % similar 4-(Phenylthio)benzenemethanol6317-56-234 % similar 4-(Phenylthio)-1,2-benzenediamine43156-48-533 % similar Triphenylsulfonium triflate66003-78-933 % similar

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

Elsewhere

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