Benzothiazole, 2-chloro-4,7-dimethyl-


Chemical Name: Benzothiazole, 2-chloro-4,7-dimethyl-
CAS Number: 80945-84-2
Product Number: AG005HV4(AGN-PC-0KBJMK)
Synonyms:
MDL No:
Molecular Formula: C9H8ClNS
Molecular Weight: 197.6845

Identification/Properties


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



Known for its versatile applications in chemical synthesis, 2-Chloro-4,7-dimethylbenzo[d]thiazole serves as a crucial building block in the development of various organic compounds. With its unique molecular structure, this compound plays a key role in the creation of pharmaceutical intermediates, agrochemicals, and materials for research and development. Its reactivity and compatibility make it a valuable tool for chemists seeking to design and construct complex molecular structures with precision and efficiency. By incorporating 2-Chloro-4,7-dimethylbenzo[d]thiazole into their synthetic pathways, researchers can access a wide range of functionalized derivatives that exhibit diverse properties and potential for further exploration in the field of chemistry.