1215205-70-1 | 5-Bromobenzothiazole-2-sulfonic acid

Packsize	Purity	Availability	Price	Discounted Price
100mg	98%	in stock	$297.00	$208.00
250mg	98%	in stock	$510.00	$357.00
1g	98%	in stock	$1,255.00	$879.00

Description

• Catalog Number: AA53135
• Chemical Name: 5-Bromobenzothiazole-2-sulfonic acid
• CAS Number: 1215205-70-1
• Molecular Formula: C7H4BrNO3S2
• Molecular Weight: 294.1456
• MDL Number: MFCD13195726
• SMILES: Brc1ccc2c(c1)nc(s2)S(=O)(=O)O

Computed Properties

• Complexity: 315
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 2.3

Upstream Synthesis Route

5-Bromobenzothiazole-2-sulfonic acid is a valuable chemical reagent widely used in various chemical synthesis applications. It serves as a versatile building block in organic chemistry, particularly in the synthesis of pharmaceuticals, agrochemicals, and advanced materials. With its unique structure and reactivity, this compound plays a crucial role in the development of new molecules with desired properties.One of the key applications of 5-Bromobenzothiazole-2-sulfonic acid is its utility in the construction of heterocyclic compounds. By serving as a precursor in the synthesis of complex heterocycles, this compound enables chemists to access a diverse range of chemical structures that exhibit diverse biological activities. Additionally, the sulfonic acid functionality in the molecule can participate in various chemical transformations, allowing for the introduction of additional substituents or functional groups that further enhance the properties of the final products.Furthermore, 5-Bromobenzothiazole-2-sulfonic acid can be employed as a coupling partner in cross-coupling reactions, such as Suzuki-Miyaura coupling, Sonogashira coupling, and Heck reaction. These reactions enable the formation of carbon-carbon and carbon-heteroatom bonds, facilitating the synthesis of complex organic compounds in a controlled and efficient manner. The presence of the bromo and sulfonic acid groups in the molecule offers strategic handles for selective derivatization and modification, making it a valuable tool for chemical synthesis.Overall, the significance of 5-Bromobenzothiazole-2-sulfonic acid in chemical synthesis lies in its ability to serve as a versatile building block for the construction of diverse molecular architectures with applications in various fields, including medicinal chemistry, materials science, and agrochemical development. Its unique structural features and reactivity make it a valuable asset in the toolbox of synthetic chemists seeking to create novel compounds with tailored properties and functions.