Benzenamine, 4-(2-benzothiazolyl)-N-methyl-


Chemical Name: Benzenamine, 4-(2-benzothiazolyl)-N-methyl-
CAS Number: 439858-28-3
Product Number: AG00DIIJ(AGN-PC-0CO79B)
Synonyms:
MDL No:
Molecular Formula: C14H12N2S
Molecular Weight: 240.3235

Identification/Properties


Computed Properties
Molecular Weight:
240.324g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
240.072g/mol
Monoisotopic Mass:
240.072g/mol
Topological Polar Surface Area:
53.2A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
251
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



The compound 4-(Benzo[d]thiazol-2-yl)-N-methylaniline plays a crucial role in chemical synthesis as a versatile building block for creating novel organic molecules. With its unique structure combining a benzo[d]thiazole ring and a N-methylaniline group, this compound offers a myriad of possibilities for designing and synthesizing advanced materials, pharmaceuticals, and agrochemicals. In synthetic chemistry, it can act as a key intermediate for the preparation of complex heterocyclic compounds through various functional group transformations such as arylation, alkylation, or acylation reactions. Furthermore, its dual aromatic nature and substituted amine functionality enable it to participate in diverse synthetic strategies, including Suzuki-Miyaura cross-coupling, Buchwald-Hartwig amination, and transition metal-catalyzed C-H activation processes. The presence of the benzo[d]thiazole moiety also imparts interesting electronic and photophysical properties to the resulting molecules, making them valuable candidates for applications in optoelectronics, material science, and medicinal chemistry.