1253800-86-0

Basic information

• Product Name: S-acetyl-2-methyl-4-iodothiophenol
• Synonyms: S-acetyl-2-methyl-4-iodothiophenol
• CAS NO: 1253800-86-0
• Molecular Weight: 292.14
• Mol File: 1253800-86-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: S-acetyl-2-methyl-4-iodothiophenol(CAS DataBase Reference)
• NIST Chemistry Reference: S-acetyl-2-methyl-4-iodothiophenol(1253800-86-0)
• EPA Substance Registry System: S-acetyl-2-methyl-4-iodothiophenol(1253800-86-0)

Safety Data

• Hazardous Substances Data: 1253800-86-0(Hazardous Substances Data)

Upstream product

• 13194-68-8 4-iodo-2-methylaniline 
• 10387-40-3 potassium thioacetate 

Relevant articles and documents

Rapid and convenient synthesis of S-acetylarenethiols by non-aqueous diazotization

A series of S-acetylarenethiols were synthesized from aromatic amines by a rapid, convenient and efficient method. Arenediazonium tetrafluoroborates were afforded from aromatic amines, isoamyl nitrite and boron trifluoride etherate in non-aqueous diazotization system, then reacted with potassium thioacetate in dimethylsulfoxide to obtain desired products in moderate to good yields and short reaction times. The product S-acetyl-4-iodothiophenol was characterized by single crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/C with unit cell parameters: a = 0.594 20(12) nm, b = 0.542 00(11) nm, c = 2.9618(6) nm, α = 90.00°, β = 94.23(3)°, γ = 90.00°, Dx = 1.942 g/cm3, Z = 4, F(000) = 528, μ = 3.528 mm-1, R = 0.039 2, wR = 0.099 3, P = (Fo2 + 2Fc2)/3, S = 1.077, (Δρ)max = 0.692 x 1030 e/m3, (Δρ)min = -0.558 x 1030 e/m3. The X-ray crystallographic structure (CCDC-684683) clearly shows that the para atoms I and S lie in the benzene ring plane and no hydrogen bonds were observed.