triphenyl[(phenylsulfanyl)methyl]phosphanium chloride

• ChemBase ID: 176661
• Molecular Formular: C25H22ClPS
• Molecular Mass: 420.933941
• Monoisotopic Mass: 420.08683601
• SMILES: c1cc(ccc1)SC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• Canonical SMILES: c1ccc(cc1)SC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• InChI: InChI=1S/C25H22PS.ClH/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)21-27-25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1
• InChIKey: OAUXBAZCEXSXGL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenyl[(phenylsulfanyl)methyl]phosphanium chloride
• IUPAC Traditional name: triphenyl[(phenylsulfanyl)methyl]phosphanium chloride
• Synonyms: Triphenyl[(phenylthio)methyl]phosphonium Chloride; (Phenylthio)methyltriphenylphosphonium Chloride

Database IDs

• CAS Number: 13884-92-9
• PubChem SID: 164232571
• PubChem CID: 11080318

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.703086
• LogD (pH = 7.4): 6.703086
• Log P: 6.703086
• Molar Refractivity: 119.213 cm^3
• Polarizability: 47.09831 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: Off-White to Pale Beige Solid
• Melting Point: 223-226°C

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - P337000

A Wittig reagent.