(4-{[4-(diphenylsulfaniumyl)phenyl]sulfanyl}phenyl)diphenylsulfanium; diphenyl[4-(phenylsulfanyl)phenyl]sulfanium; tris(hexafluorostibanuide)

• ChemBase ID: 136078
• Molecular Formular: C60H47F18S5Sb3
• Molecular Mass: 1635.5914376
• Monoisotopic Mass: 1631.91083446
• SMILES: c1ccc(cc1)Sc1ccc(cc1)[S+](c1ccccc1)c1ccccc1.c1ccc(cc1)[S+](c1ccccc1)c1ccc(cc1)Sc1ccc(cc1)[S+](c1ccccc1)c1ccccc1.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F
• Canonical SMILES: c1ccc(cc1)[S+](c1ccccc1)c1ccc(cc1)Sc1ccc(cc1)[S+](c1ccccc1)c1ccccc1.c1ccc(cc1)Sc1ccc(cc1)[S+](c1ccccc1)c1ccccc1.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F
• InChI: InChI=1S/C36H28S3.C24H19S2.18FH.3Sb/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;1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;;;;;;;;;;;;;;;;;;;;;/h1-28H;1-19H;18*1H;;;/q+2;+1;;;;;;;;;;;;;;;;;;;3*+5/p-18
• InChIKey: YASCSMWRFXPFOO-UHFFFAOYSA-A

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-{[4-(diphenylsulfaniumyl)phenyl]sulfanyl}phenyl)diphenylsulfanium; diphenyl[4-(phenylsulfanyl)phenyl]sulfanium; tris(hexafluorostibanuide)
• IUPAC Traditional name: (4-{[4-(diphenylsulfaniumyl)phenyl]sulfanyl}phenyl)diphenylsulfanium; diphenyl[4-(phenylsulfanyl)phenyl]sulfanium; tris(hexafluorostibanuide)
• Synonyms: Triarylsulfonium hexafluoroantimonate salts, mixed; 三芳基锍六氟锑酸盐混合物

Database IDs

• CAS Number: 109037-75-4
• MDL Number: MFCD03411230
• PubChem SID: 162230349; 24884009
• PubChem CID: 16717652

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.14079
• LogD (pH = 7.4): 8.14079
• Log P: 8.14079
• Molar Refractivity: 170.9835 cm^3
• Polarizability: 68.1044 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: >220 °C
• Flash Point: >140 °C; >284 °F
• Density: 1.410 g/mL at 25 °C
• Refractive Index: n20/D 1.502

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/22-36-51/53
• Safety Statements: 26-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H319-H331-H411
• GHS Precautionary statements: P261-P273-P305 + P351 + P338-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Concentration: 50 wt. % in propylene carbonate

DETAILS

Sigma Aldrich - 654027

Packaging
25, 100 mL in poly bottle