2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid


Chemical Name: 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
CAS Number: 1373253-24-7
Product Number: AG001351(AGN-PC-0BL83V)
Synonyms:
MDL No:
Molecular Formula: C5H2BrN3O2S
Molecular Weight: 248.0573

Identification/Properties


Computed Properties
Molecular Weight:
248.054g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
246.905g/mol
Monoisotopic Mass:
246.905g/mol
Topological Polar Surface Area:
95.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
217
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-Bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid is a versatile compound widely utilized in chemical synthesis. Due to its unique structure and reactivity, it serves as a valuable building block in the preparation of various organic molecules. This compound is particularly useful in the synthesis of pharmaceuticals, agrochemicals, and materials due to its ability to introduce specific functionalities into target molecules. In addition, 2-Bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid has been employed in the development of novel dyes, fluorescent probes, and advanced materials with tailored properties. Its versatility and compatibility with a range of reaction conditions make it a valuable tool for synthetic chemists seeking to access complex molecular structures in a controlled and efficient manner. By incorporating this compound into their synthetic routes, researchers can streamline the synthesis of diverse compounds with applications in various fields of chemistry.