(2-Amino-5-ethylthiophen-3-yl)-(2-chlorophenyl)methanone

CAS: 50508-60-6

Ref. 3D-ACA50860

Produktinformation

• Name: (2-Amino-5-ethylthiophen-3-yl)-(2-chlorophenyl)methanone
• Synonyme: (2-Amino-5-ethyl-3-thienyl)(2-chlorophenyl)methanone, Methanone, (2-Amino-5-Ethyl-3-Thienyl)(2-Chlorophenyl)-, 2-Amino-3-(2-chlorobenzoyl)-5-ethylthiophene, 2-Amino-3-o-chlorobenzoyl-5-ethylthiophene

Beschreibung

(2-Amino-5-ethylthiophen-3-yl)-(2-chlorophenyl)methanone is a crystalline compound that belongs to the class of phenylthiomethanes. It has been shown to be an antagonist at the a1 adenosine receptor and displays functional theory, single crystal x-ray diffraction, and graphical representations of its conformation. The molecule crystallizes in an orthorhombic space group with the parameters a = 8.9, b = 8.7, c = 10.8 Å and β= 96° (C2/c).
The molecular orbital diagram shows two electron density distributions that are attributed to the π* molecular orbitals for the C-N bond in one of the rings and the σ* molecular orbitals for the C-N bond in another ring. Optimization of these molecular orbitals leads to a better understanding of this molecule's properties.

• Marke: Biosynth

Chemische Eigenschaften

• Molekulargewicht: 265.76 g/mol
• Formel: C₁₃H₁₂ClNOS
• Reinheit: Min. 95%