chempirical

Diphenyl[(phenylthio)phenyl]sulfonium hexafluorophosphate

C24H19F6PS2CAS 68156-13-8516.50 g/mol

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Sulfide

Properties

Molecular formula
C24H19F6PS2
Molar mass
516.50 g/mol
Exact mass
516.0570 Da
logP
10.32Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
68156-13-8
SMILES
C1=CC=C(C=C1)SC2=CC=CC=C2[S+](C3=CC=CC=C3)C4=CC=CC=C4.F[P-](F)(F)(F)(F)F
InChIKey
SFWSATMGMAKCIF-UHFFFAOYSA-N
InChI
InChI=1S/C24H19S2.F6P/c1-4-12-20(13-5-1)25-23-18-10-11-19-24(23)26(21-14-6-2-7-15-21)22-16-8-3-9-17-22;1-7(2,3,4,5)6/h1-19H;/q+1;-1

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Names and synonyms

3 names
  • Sulfonium, diphenyl[(phenylthio)phenyl]-, hexafluorophosphate(1-) (1:1)
  • Sulfonium, diphenyl[(phenylthio)phenyl]-, hexafluorophosphate(1-)
  • Phosphate(1-), hexafluoro-, diphenyl[(phenylthio)phenyl]sulfonium

Work with Diphenyl[(phenylthio)phenyl]sulfonium 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

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.

Diphenyl[(phenylthio)phenyl]sulfonium hexafluorophosphate75482-18-7

Similar compounds

Bis[4-(diphenylsulfonio)phenyl] sulfide bis(hexafluorophosphate)74227-35-362 % similar (p-Thiophenoxyphenyl)diphenylsulfonium hexafluoroantimonate71449-78-044 % similar 4,4′-Bis[diphenylsulfonio]phenylsulfide bishexafluoroantimonate89452-37-941 % similar 2-(Phenylthio)aniline1134-94-738 % similar 2-Methyl diphenyl sulfide13963-35-438 % similar Diphenyl sulfide139-66-235 % similar 2-(Phenylthio)aniline hydrochloride6764-13-235 % similar Diphenyliodonium hexafluorophosphate58109-40-333 % similar

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

Elsewhere

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