bis(N-aurio-1,1,1-trifluoro-N-trifluoromethanesulfonylmethanesulfonamide); toluene; bis(triphenylphosphane)

• ChemBase ID: 135568
• Molecular Formular: C47H38Au2F12N2O8P2S4
• Molecular Mass: 1570.9346804
• Monoisotopic Mass: 1570.01259809
• SMILES: Cc1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.C(F)(F)(F)S(=O)(=O)N(S(=O)(=O)C(F)(F)F)[Au].C(F)(F)(F)S(=O)(=O)N(S(=O)(=O)C(F)(F)F)[Au]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Au]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.[Au]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.Cc1ccccc1
• InChI: InChI=1S/2C18H15P.C7H8.2C2F6NO4S2.2Au/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;/h2*1-15H;2-6H,1H3;;;;/q;;;2*-1;2*+1
• InChIKey: SIVCTOVPPFSWEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(N-aurio-1,1,1-trifluoro-N-trifluoromethanesulfonylmethanesulfonamide); toluene; bis(triphenylphosphane)
• IUPAC Traditional name: bis(N-aurio-1,1,1-trifluoro-N-trifluoromethanesulfonylmethanesulfonamide); toluene; bis(triphenylphosphine)
• Synonyms: [Bis(trifluoromethanesulfonyl)imidate](PPh3)gold(I) (2:1) toluene adduct; [Bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I) (2:1) toluene adduct; [双(三氟甲烷磺酰)亚胺](PPh3)金(I)(2:1)甲苯加合物; [双(三氟甲烷磺酰)亚胺](三苯基膦)金(I)(2:1)甲苯加合物

Database IDs

• MDL Number: MFCD09038445
• PubChem SID: 162229842; 24885406
• PubChem CID: 16218327

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• Molar Refractivity: 81.6229 cm^3
• Polarizability: 32.34495 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3

Product Information

• Linear Formula: (C20H15AuF6NO4PS2) 2 · C7H8

DETAILS

Sigma Aldrich - 677922

Packaging
1 g in glass bottle
250 mg in glass bottle
Application
Gold Catalysts - 21st Century ′Gold Rush′