2(3H)-Benzothiazolethione, 4-methyl-


Chemical Name: 2(3H)-Benzothiazolethione, 4-methyl-
CAS Number: 2268-77-1
Product Number: AG006X11(AGN-PC-0LNAC8)
Synonyms:
MDL No:
Molecular Formula: C8H7NS2
Molecular Weight: 181.2779

Identification/Properties


Properties
MP:
161℃
BP:
308.7°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
181.271g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
181.002g/mol
Monoisotopic Mass:
181.002g/mol
Topological Polar Surface Area:
69.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
181
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


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Chemical Structure



4-Methylbenzo[d]thiazole-2(3H)-thione, also known as $name$, is a versatile compound commonly used in chemical synthesis. This substance serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and fragrances due to its unique structural properties. In organic synthesis, 4-Methylbenzo[d]thiazole-2(3H)-thione is utilized as a precursory material to generate a wide range of compounds with diverse functionalities and applications. Its presence in the synthesis process imparts specific aromatic and sulfur-containing characteristics to the final products, making it a valuable tool for chemists in designing novel molecules. Furthermore, the reactivity of this compound allows for efficient modification and functionalization, enabling the production of tailored compounds with targeted properties. Overall, the application of 4-Methylbenzo[d]thiazole-2(3H)-thione in chemical synthesis plays a crucial role in the development of innovative and effective materials with potential applications across various industries.