N-Methyl-N-(trifluoromethylthio)aniline

• Catalog: OFC66476446
• CAS: 66476-44-6
• Category: Trifluoromethylthiolation Agents
• Synonyms: N-Methyl-N-Phenyl-S-(Trifluoromethyl)Thiohydroxylamine
• Purity: >98.0%(GC)

• IUPAC Name: N-methyl-N-(trifluoromethylsulfanyl)aniline
• InChI: InChI=1S/C8H8F3NS/c1-12(13-8(9,10)11)7-5-3-2-4-6-7/h2-6H,1H3
• InChI Key: TYFGNILTFVMYGX-UHFFFAOYSA-N
• Isomeric SMILES: CN(C1=CC=CC=C1)SC(F)(F)F
• EC Number: 808-170-5
• Reaxys Registry Number: 2967654

• Molecular Formula: C8H8F3NS
• Molecular Weight: 207.21
• Flash Point: 45 °C
• Refractive Index: 1.49
• Appearance: Colorless to almost colorless clear liquid
• Storage: 0-10 °C; Store under inert gas
• Stability: Air sensitive, Heat sensitive

• XLogP3-AA: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 207.03295492 g/mol
• Monoisotopic Mass: 207.03295492 g/mol
• Topological Polar Surface Area: 28.5Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 154

• HS Number: 2930.90.2900