Benzoyl(phenyliodonio)(trifluoromethanesulfonyl)methanide

• Catalog: OFC1443036494
• CAS: 1443036-49-4
• Category: Trifluoromethylthiolation Agents
• Purity: 98%
• MDL Number: MFCD28054471

• IUPAC Name: 1-phenyl-2-(phenyl-lambda3-iodanylidene)-2-(trifluoromethylsulfonyl)ethanone
• InChI: InChI=1S/C15H10F3IO3S/c16-15(17,18)23(21,22)14(19-12-9-5-2-6-10-12)13(20)11-7-3-1-4-8-11/h1-10H
• InChI Key: BGLWFUSLNKHJEU-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)C(=IC2=CC=CC=C2)S(=O)(=O)C(F)(F)F
• EC Number: 808-177-3

• Molecular Formula: C15H10F3IO3S
• Molecular Weight: 454.20
• Storage: Keep in dark place, inert atmosphere; Store in freezer, under -20°C

• XLogP3-AA: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 453.93475 g/mol
• Monoisotopic Mass: 453.93475 g/mol
• Topological Polar Surface Area: 59.6Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 552