CAS 105191-14-8

Benzo[b]thiophene-2-carboxylic acid, 5-cyano-, ethyl ester

Description:

Benzo[b]thiophene-2-carboxylic acid, 5-cyano-, ethyl ester is a chemical compound characterized by its unique structure, which includes a benzo[b]thiophene ring fused with a carboxylic acid and a cyano group. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, including stability and potential reactivity due to the presence of functional groups. The ethyl ester moiety suggests that it may have moderate solubility in organic solvents and could participate in various chemical reactions, such as esterification or hydrolysis. The cyano group introduces additional polarity and can influence the compound's reactivity, making it a potential candidate for further chemical transformations. This compound may be of interest in organic synthesis, medicinal chemistry, or materials science due to its structural features. As with many chemical substances, safety data and handling precautions should be considered, particularly regarding its potential toxicity and environmental impact.

Formula: C₁₂H₉NO₂S

InChI: InChI=1S/C12H9NO2S/c1-2-15-12(14)11-6-9-5-8(7-13)3-4-10(9)16-11/h3-6H,2H2,1H3

InChI key: InChIKey=KURMBVGYOCYEDO-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=CC=2C(S1)=CC=C(C#N)C2

Synonyms:

• Benzo[b]thiophene-2-carboxylic acid, 5-cyano-, ethyl ester
• Ethyl 5-cyanobenzo[b]thiophene-2-carboxylate
• Ethyl-5-cyan-1-benzothiophen-2-carboxylat