2(3H)-Thiazolone, 4-(4-bromophenyl)-


Chemical Name: 2(3H)-Thiazolone, 4-(4-bromophenyl)-
CAS Number: 3884-34-2
Product Number: AG003K2K(AGN-PC-0KKOLG)
Synonyms:
MDL No:
Molecular Formula: C9H6BrNOS
Molecular Weight: 256.11904

Identification/Properties


Computed Properties
Molecular Weight:
256.117g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
254.935g/mol
Monoisotopic Mass:
254.935g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
246
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



4-(4-Bromophenyl)-2(3H)-thiazolone is a versatile compound extensively used in chemical synthesis due to its unique properties and reactivity. This molecule serves as a key building block in the preparation of various organic compounds and pharmaceutical intermediates. In organic synthesis, 4-(4-Bromophenyl)-2(3H)-thiazolone acts as a valuable starting material for the construction of heterocyclic compounds, which are essential in drug discovery and development.One of the primary applications of 4-(4-Bromophenyl)-2(3H)-thiazolone is in the synthesis of thiazole derivatives. By reacting this compound with different nucleophiles or electrophiles, chemists can introduce various functional groups onto the thiazole ring, thereby modulating the compound's properties and biological activities. Additionally, the presence of the bromine atom on the phenyl group allows for further derivatization through cross-coupling reactions, enabling the synthesis of more complex molecules.Furthermore, 4-(4-Bromophenyl)-2(3H)-thiazolone can be utilized in transition metal-catalyzed reactions to form carbon-carbon and carbon-heteroatom bonds. This makes it an essential reagent for the construction of highly functionalized molecules with diverse applications in medicinal chemistry and material science. Overall, the versatility of 4-(4-Bromophenyl)-2(3H)-thiazolone in chemical synthesis makes it a valuable tool for organic chemists seeking to access structurally diverse and biologically active compounds.