61640-40-2

Basic information

• Product Name: 1H-Imidazolium, 1-methyl-2-(methylthio)-3-phenyl-, iodide
• CAS NO: 61640-40-2
• Molecular Formula: C11H13N2S.I
• Molecular Weight: 332.208
• Mol File: 61640-40-2.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 1H-Imidazolium, 1-methyl-2-(methylthio)-3-phenyl-, iodide(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Imidazolium, 1-methyl-2-(methylthio)-3-phenyl-, iodide(61640-40-2)
• EPA Substance Registry System: 1H-Imidazolium, 1-methyl-2-(methylthio)-3-phenyl-, iodide(61640-40-2)

Safety Data

• Hazardous Substances Data: 61640-40-2(Hazardous Substances Data)

Upstream product

• 52128-86-6 1-methyl-3-phenylimidazole-2-thione 
• 74-88-4 methyl iodide 

Downstream Products

• 930-73-4 1-methyl pyridinium iodide 
• 52128-86-6 1-methyl-3-phenylimidazole-2-thione 

Relevant articles and documents

Thioimidazolium Ionic Liquids as Tunable Alkylating Agents

Alkylating ionic liquids based on the thioimidazolium structure combine the conventional properties of ionic liquids, including low melting point and nonvolatility, with the alkylating function. Alkyl transfer occurs exclusively from the S-alkyl position, thus allowing for easy derivatization of the structure without compromising specificity. We apply this feature to tune the electrophilicty of the cation to profoundly affect the reactivity of these alkylating ionic liquids, with a caffeine-derived compound possessing the highest reactivity. Anion choice was found to affect reaction rates, with iodide anions assisting in the alkylation reaction through a shuttling process. The ability to tune the properties of the alkylating agent using the toolbox of ionic liquid chemistry highlights the modular nature of these compounds as a platform for alkylating agent design and integration in to future systems.