Benzothiazole, 2-iodo-


Chemical Name: Benzothiazole, 2-iodo-
CAS Number: 1123-99-5
Product Number: AG0082NZ(AGN-PC-0JWNJV)
Synonyms:
MDL No:
Molecular Formula: C7H4INS
Molecular Weight: 261.0828

Identification/Properties


Computed Properties
Molecular Weight:
261.08g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
260.911g/mol
Monoisotopic Mass:
260.911g/mol
Topological Polar Surface Area:
41.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
131
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


NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback


Chemical Structure



2-Iodobenzo[d]thiazole is a versatile building block in chemical synthesis, commonly used in the synthesis of various organic compounds. Its application lies in its ability to serve as a key intermediate in the preparation of pharmaceuticals, agrochemicals, and materials science.Due to its unique structure, 2-Iodobenzo[d]thiazole can undergo a variety of reactions, such as cross-coupling reactions, nucleophilic substitutions, and palladium-catalyzed transformations. These reactions enable the introduction of functional groups and the modification of the molecular structure to achieve the desired properties.In pharmaceutical synthesis, 2-Iodobenzo[d]thiazole is often employed in the construction of drug candidates and bioactive molecules. Its inclusion in the molecular framework can enhance the biological activity, improve pharmacokinetic properties, or impart specific target-binding capabilities.In the field of agrochemicals, the versatility of 2-Iodobenzo[d]thiazole enables the development of new pesticides, herbicides, and fungicides. By incorporating this compound into the chemical structure, researchers can tailor the properties of the agrochemical to enhance efficacy, minimize environmental impact, or improve crop selectivity.Moreover, in materials science, 2-Iodobenzo[d]thiazole finds application in the synthesis of functional materials, such as organic semiconductors, fluorescent dyes, and liquid crystals. Its unique electronic properties and structural features make it a valuable building block for designing novel materials with specific optical, electrical, or mechanical characteristics.