3-Thiophenecarboxylic acid, 2-methyl-, ethyl ester


Chemical Name: 3-Thiophenecarboxylic acid, 2-methyl-, ethyl ester
CAS Number: 19432-66-7
Product Number: AG00387B(AGN-PC-0N4W09)
Synonyms:
MDL No:
Molecular Formula: C8H10O2S
Molecular Weight: 170.2288

Identification/Properties


Computed Properties
Molecular Weight:
170.226g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
170.04g/mol
Monoisotopic Mass:
170.04g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
147
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

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Chemical Structure



Ethyl 2-methylthiophene-3-carboxylate is a versatile compound commonly utilized in chemical synthesis for the preparation of various organic molecules. Its distinct molecular structure consisting of a thiophene ring with a methyl group and carboxylic acid ester moiety makes it a valuable building block in the creation of complex compounds.One notable application of Ethyl 2-methylthiophene-3-carboxylate is in the synthesis of pharmaceuticals, where it serves as a key intermediate in the production of biologically active compounds. It can be used as a precursor for the synthesis of heterocyclic compounds with potential pharmacological properties, making it essential in drug discovery and development processes.Furthermore, Ethyl 2-methylthiophene-3-carboxylate is employed in the preparation of agrochemicals, fragrances, and advanced materials. Its unique chemical properties make it a favored choice for chemists looking to introduce specific functional groups or structural motifs into their target molecules, enabling the creation of novel compounds with tailored properties.Overall, Ethyl 2-methylthiophene-3-carboxylate plays a crucial role in modern chemical synthesis, offering a wide range of applications in diverse fields including pharmaceuticals, agrochemicals, and materials science. Its versatility and reactivity make it a valuable tool for chemists seeking to design and synthesize innovative molecules with various functionalities.