Benzo[b]thiophene, 3,5-dimethyl-


Chemical Name: Benzo[b]thiophene, 3,5-dimethyl-
CAS Number: 1964-45-0
Product Number: AG003IOS(AGN-PC-0KKZVH)
Synonyms:
MDL No:
Molecular Formula: C10H10S
Molecular Weight: 162.2514

Identification/Properties


Properties
BP:
261.1°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
162.25g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
162.05g/mol
Monoisotopic Mass:
162.05g/mol
Topological Polar Surface Area:
28.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
144
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


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Chemical Structure



3,5-Dimethylbenzo[b]thiophene is a versatile building block in chemical synthesis, widely used in the pharmaceutical and agrochemical industries. This compound serves as a key intermediate in the production of various biologically active compounds, including pharmaceutical drugs, pesticides, and materials for organic electronic devices. Its unique structure and properties make it an essential component in the development of novel molecules with diverse applications. In chemical synthesis, 3,5-Dimethylbenzo[b]thiophene can be utilized as a starting material for the synthesis of complex organic molecules through various reactions such as functional group transformations, cross-coupling reactions, and heterocycle formations. Its presence in the molecular structure imparts specific characteristics and functionalities to the final products, making it a valuable tool for chemists in designing and synthesizing new compounds with tailored properties and activities.