68892-07-9

Basic information

• Product Name: METHYL 1-METHYL-2-SULFANYL-1H-IMIDAZOLE-5-CARBOXYLATE
• Synonyms: BUTTPARK 52\04-76;METHYL 1-METHYL-2-MERCAPTO-1H-5-IMIDAZOLECARBOXYLATE;METHYL 1-METHYL-2-MERCAPTO-1H-IMIDAZOLE-5-CARBOXYLATE;METHYL 1-METHYL-2-SULFANYL-1H-IMIDAZOLE-5-CARBOXYLATE;METHYL 2-MERCAPTO-1-METHYL-1H-IMIDAZOLE-5-CARBOXYLATE;methyl 2,3-dihydro-3-methyl-2-thioxo-1H-imidazole-4-carboxylate;2,3-Dihydro-3-methyl-2-thioxo-1H-imidazole-4-carboxylic acid methyl ester;methyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylate
• CAS NO: 68892-07-9
• Molecular Formula: C₆H₈N₂O₂S
• Molecular Weight: 172.2
• EINECS: 272-595-7
• Product Categories: blocks;Carboxes;Imidazoles
• Mol File: 68892-07-9.mol
• Article Data: 2

Chemical Properties

• Melting Point: 188 °C
• Boiling Point: 240.6 °C at 760 mmHg
• Flash Point: 99.3 °C
• Appearance: /
• Density: 1.36 g/cm³
• Vapor Pressure: 0.0376mmHg at 25°C
• Refractive Index: 1.616
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: METHYL 1-METHYL-2-SULFANYL-1H-IMIDAZOLE-5-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 1-METHYL-2-SULFANYL-1H-IMIDAZOLE-5-CARBOXYLATE(68892-07-9)
• EPA Substance Registry System: METHYL 1-METHYL-2-SULFANYL-1H-IMIDAZOLE-5-CARBOXYLATE(68892-07-9)

Safety Data

• Safety Statements: S24/25:Avoid contact with skin and eyes.
• HazardClass: IRRITANT
• Hazardous Substances Data: 68892-07-9(Hazardous Substances Data)

Usage

General Description

Methyl 1-methyl-2-sulfanyl-1H-imidazole-5-carboxylate is a synthetic chemical compound with the molecular formula C8H10N2O2S. It is commonly used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. This chemical is known for its versatile reactivity and is used as a building block in the production of various drugs and active pharmaceutical ingredients. Methyl 1-methyl-2-sulfanyl-1H-imidazole-5-carboxylate is also used in organic synthesis and medicinal chemistry research due to its unique structure and functional groups. Due to its potential applications in the pharmaceutical and agrochemical industries, this compound is of significant interest to researchers and chemists.

InChI:InChI=1/C6H8N2O2S/c1-8-4(5(9)10-2)3-7-6(8)11/h3H,1-2H3,(H,7,11)

Upstream product

• 333-20-0 potassium thioacyanate 
• 107-31-3 Methyl formate 
• 68892-06-8 methyl N-formyl-N-methylglycinate 

Downstream Products

• 64038-57-9 (2-mercapto-3-methylimidazol-4-yl)methanoic acid 
• 17289-20-2 methyl 1-methyl-1H-imidazole-5-carboxylate 
• 1445985-54-5 (R)-methyl 2-((2,5-dichloro-4-((4-(4-cyclopropyl-1,2,3,4-tetrahydriquinoxaline-1-carbonyl)thiazolidin-3-yl)methyl)benzyl)thio)-1-methyl-1H-imidazole-5-carboxylate 
• 108905-63-1 Methyl 4-bromo-1-methyl-2-methylthio-5-imidazolecarboxylate 

Relevant articles and documents

New mixed-ligand ReV complexes with bis(2-mercaptoethyl) sulfide and functionalized thioimidazolyl ligands

The preparation of the mixed-ligand ReV complexes [Re(O)(κ3-SSS)(κ1-Simz)] (1), [Re(O)(κ3-SSS)(κ1-Simz)]·HCl (2) and [Re(O)(κ3-SSS)(κ1-SimzCOGlyGly)] (3) are described. These [3+1] type compounds are stabilized by tridentate bis(2-mercaptoethyl) sulfide (HSSSH) and by monodentate functionalized thioimidazolyl ligands. Complexes 1, 2 and 3 were fully characterized by IR and 1H NMR spectroscopy, and by X-ray diffraction analysis in the case of 1 and 2. In complexes 1 and 2 the Re atom is five-coordinate, presenting a distorted square pyramidal coordination geometry. Based on the angular structural parameter, τ, this distortion lies towards a trigonal bipyramidal geometry (τ = 0.40, 1; τ = 0.46, 2). Wiley-VCH Verlag GmbH, 69451 Weinheim, Germany, 2002.