chempirical

4,4′-Bis[diphenylsulfonio]phenylsulfide bishexafluoroantimonate

C36H28F6S3Sb+CAS 89452-37-9792.55 g/mol

Open in Covalent MOL file
F−F−F−F−F−F−Sb5+S+SS+
Sulfide

Properties

Molecular formula
C36H28F6S3Sb+
Molar mass
792.55 g/mol
Exact mass
791.0295 Da
logP
-8.33Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
8

Identifiers

CAS number
89452-37-9
SMILES
[F-].[F-].[F-].[F-].[F-].[F-].[Sb+5].c1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIKey
CIBFRRFREVQSJD-UHFFFAOYSA-H
InChI
InChI=1S/C36H28S3.6FH.Sb/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;;;;;;;/h1-28H;6*1H;/q+2;;;;;;;+5/p-6

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Names and synonyms

10 names
  • Sulfonium, (thiodi-4,1-phenylene)bis[diphenyl-, (oc-6-11)-hexafluoroantimonate(1-) (1:2)
  • Sulfonium, (thiodi-4,1-phenylene)bis[diphenyl-, bis[(OC-6-11)-hexafluoroantimonate(1-)]
  • Antimonate(1-), hexafluoro-, (OC-6-11)-, (thiodi-4,1-phenylene)bis[diphenylsulfonium] (2:1)
  • SarCat KI 85
  • Bis[4-(diphenylsulfonio)phenyl] sulfide bis(hexafluoroantimonate)
  • KI 85
  • IHT-PI 436
  • TR-PAG 201
  • Easepi 6992
  • PI 6992

Work with 4,4′-Bis[diphenylsulfonio]phenylsulfide bishexafluoroantimonate

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-Thiophenoxyphenyl)diphenylsulfonium hexafluoroantimonate71449-78-096 % similar Bis[4-(diphenylsulfonio)phenyl] sulfide bis(hexafluorophosphate)74227-35-361 % similar Triphenylsulfonium chloride4270-70-643 % similar 4-(Phenylthio)benzaldehyde1208-88-434 % similar 4-(Phenylthio)benzenemethanol6317-56-234 % similar 4-(Phenylthio)-1,2-benzenediamine43156-48-533 % similar 1-[4-(Phenylthio)phenyl]ethanone10169-55-832 % similar 4-Nitrophenyl phenyl sulfide952-97-632 % similar

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

Elsewhere

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