66962-38-7

Basic information

• Product Name: 1-methyl-2-(phenylsulfanylmethyl)-5-nitroimidazole
• CAS NO: 66962-38-7
• Molecular Weight: 249.293
• Mol File: 66962-38-7.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 1-methyl-2-(phenylsulfanylmethyl)-5-nitroimidazole(CAS DataBase Reference)
• NIST Chemistry Reference: 1-methyl-2-(phenylsulfanylmethyl)-5-nitroimidazole(66962-38-7)
• EPA Substance Registry System: 1-methyl-2-(phenylsulfanylmethyl)-5-nitroimidazole(66962-38-7)

Safety Data

• Hazardous Substances Data: 66962-38-7(Hazardous Substances Data)

Upstream product

• 551-92-8 dimetridazole 
• 108-98-5 thiophenol 

Relevant articles and documents

Crystal and molecular structure of imidazole derivatives with different substituents

The crystal and molecular structures of 1-Methyl-2-Isopropyl-5-Nitroimidazole (A) and 1-Methyl-2(Thiophenyl)-Methyl-5-Nitroimidazole (B) derivatives were determined by X-ray diffraction methods. The compound A, C7H11N3O2, crystallises in the monoclinic space group P21/c with a = 9.9582(2) angstrom, b = 6.5240(4) angstrom, c = 13.5560(3) angstrom, β = 99.8930(17)°, V = 867.6(5) angstrom3, Z = 4, Dcalc = 1.295 Mg/m3, μ = 0.813 mm-1, F000 = 360, CuKα = 1.5406 angstrom and R = 0.09. The five membered ring with two nitrogen atoms is planar. Layering is observed down a and b axes. The compound B, C11H11N3O2S, crystallises in the triclinic space group P1 with a = 6.270(10) angstrom, b = 27.874(12) angstrom, c = 12.960(3) angstrom, α = 90°, β = 89.90°, γ = 90°, V = 2266(35) angstrom3, Z = 8, Dcalc = 1.461 Mg/m3, μ = 2.504 mm-1, F000 = 1040, CuKα = 1.5406 angstrom and R = 0.11.