CAS 1028-39-3

3-(4-BROMOPHENYL)-2-THIOXO-2,3-DIHYDRO-4(1H)-QUINAZOLINONE

Description:

3-(4-Bromophenyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone, with the CAS number 1028-39-3, is a chemical compound characterized by its quinazolinone core structure, which features a thioxo group and a bromophenyl substituent. This compound typically exhibits a yellow to brown solid appearance and is known for its potential biological activities, including antimicrobial and anticancer properties. The presence of the bromine atom enhances its reactivity and may influence its pharmacological profile. The thioxo group contributes to the compound's ability to form various derivatives, which can be explored for medicinal chemistry applications. Additionally, the compound's solubility and stability can vary depending on the solvent and environmental conditions, making it important for researchers to consider these factors in experimental designs. Overall, 3-(4-bromophenyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone represents a significant interest in the field of organic and medicinal chemistry due to its unique structure and potential therapeutic applications.

Formula: C₁₄H₉BrN₂OS

InChI: InChI=1/C14H9BrN2OS/c15-9-5-7-10(8-6-9)17-13(18)11-3-1-2-4-12(11)16-14(17)19/h1-8H,(H,16,19)

SMILES: c1ccc2c(c1)c(=O)n(c1ccc(cc1)Br)c(n2)S

Synonyms:

• 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

3-(4-bromophenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

CAS: 1028-39-3

Formula: C₁₄H₉BrN₂OS

Color and Shape: Solid

Molecular weight: 333.2031

Ref: IN-DA0086A4

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

CAS: 1028-39-3

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

Purity: ≥95%

Molecular weight: 333.20g/mol

Ref: 54-OR12049

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

CAS: 1028-39-3

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:

Formula: C₁₄H₉BrN₂OS

Purity: Min. 95%

Molecular weight: 333.2 g/mol

Ref: 3D-BAA02839