2-chloro-4,6-dimethyl-1,3-benzothiazole


Chemical Name: 2-chloro-4,6-dimethyl-1,3-benzothiazole
CAS Number: 80689-35-6
Product Number: AG005JXK(AGN-PC-0KBJMJ)
Synonyms:
MDL No:
Molecular Formula: C9H8ClNS
Molecular Weight: 197.6845

Identification/Properties


Properties
BP:
287°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
197.68g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
197.007g/mol
Monoisotopic Mass:
197.007g/mol
Topological Polar Surface Area:
41.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
176
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-Chloro-4,6-dimethylbenzo[d]thiazole, commonly referred to as $name$, is a versatile compound widely utilized in chemical synthesis. This compound serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and materials due to its unique chemical properties.In chemical synthesis, $name$ is often employed as a valuable intermediate in the production of organic compounds with diverse functionalities. Its presence enables the introduction of specific structural motifs or functional groups into target molecules, enhancing their biological or physical properties. Furthermore, the chloro and methyl substituents on the benzothiazole ring confer reactivity and selectivity to the synthesis process, making $name$ a preferred reagent in the formation of complex chemical structures.Chemists leverage the reactivity of 2-Chloro-4,6-dimethylbenzo[d]thiazole to facilitate key transformations such as nucleophilic substitution, aromatic substitution, and cycloaddition reactions. This compound's ability to undergo various chemical reactions under controlled conditions makes it a valuable tool for designing novel compounds with tailored characteristics for a broad range of applications.Additionally, the versatility of $name$ extends its utility beyond traditional organic synthesis, finding applications in medicinal chemistry, material science, and other fields that require precise molecular design. Its significance lies in its ability to impart specific functionalities or enhance the reactivity of target molecules, opening doors to innovative pathways in chemical synthesis.Overall, 2-Chloro-4,6-dimethylbenzo[d]thiazole plays a crucial role in accelerating the development of novel chemical entities with improved properties, making it an indispensable component in the toolbox of synthetic chemists worldwide.