3-(4-Bromophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

CAS: 1028-39-3

Ref. 3D-BAA02839

Información del producto

• Nombre: 3-(4-Bromophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
• Sinónimos: Akos Bbs-00004609, 3-(4-Bromophenyl)-2-thioxo-2,3-dihydro-1H-quinazolin-4-one, 3-(4-bromophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

Descripción

3-(4-Bromophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is a compound with disorder. It crystallizes in the monoclinic space group P21/c and has a pairwise stabilized crystal structure. 3-(4-Bromophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is stable as dimers and amides, which are linked by hydrogen bonds. The amide bond distance is 1.47 Å. The dihedral angle between substituents is 99° and it has an HOMO energy level of -5.94 eV, making it a hole acceptor. 3-(4-Bromophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one has the following crystal structures:

• Marca: Biosynth

Propiedades químicas

• Peso molecular: 333.2 g/mol
• Fórmula: C₁₄H₉BrN₂OS
• Pureza: Min. 95%