1-phenyl-1$l^{4}-thiolan-1-ylium; hexafluoro-$l^{5}-phosphanuide

• ChemBase ID: 9468
• Molecular Formular: C10H13F6PS
• Molecular Mass: 310.2394002
• Monoisotopic Mass: 310.03797737
• SMILES: c1cccc(c1)[S+]1CCCC1.F[P-](F)(F)(F)(F)F
• Canonical SMILES: C1CC[S+](C1)c1ccccc1.F[P-](F)(F)(F)(F)F
• InChI: InChI=1S/C10H13S.F6P/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-7(2,3,4,5)6/h1-3,6-7H,4-5,8-9H2;/q+1;-1
• InChIKey: FJBXYJIIZVQTSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-1$l^{4}-thiolan-1-ylium; hexafluoro-$l^{5}-phosphanuide
• IUPAC Traditional name: 1-phenyl-1$l^{4}-thiolan-1-ylium; hexafluoro-$l^{5}-phosphanuide
• Synonyms: Phenyltetramethylenesulfonium hexafluorophosphate; Phenyltetramethylenesulphonium hexafluorophosphate

Database IDs

• CAS Number: 82135-88-4
• MDL Number: MFCD01631227
• PubChem SID: 160972775
• PubChem CID: 2776427

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.4676354
• LogD (pH = 7.4): 1.4676354
• Log P: 1.4676354
• Molar Refractivity: 49.9677 cm^3
• Polarizability: 20.368515 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful
• TSCA Listed: false

Product Information

• Purity: 97%

DETAILS

Apollo Scientific Ltd - PC8842

Sulphonium salts have recently been shown to participate in cross-coupling see: JACS. (1997) vol 199, pp 12376-12377.