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CAS 175203-98-2

:

2-[(3-Methylbenzo[b]thien-2-yl)carbonyl]benzoic acid

Description:
2-[(3-Methylbenzo[b]thien-2-yl)carbonyl]benzoic acid, with the CAS number 175203-98-2, is an organic compound characterized by its complex structure that includes both a benzoic acid moiety and a thienyl group. This compound features a carbonyl group attached to a thienyl ring, which is further substituted with a methyl group, contributing to its unique chemical properties. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents, depending on the specific conditions. The presence of the carboxylic acid functional group suggests that it can participate in acid-base reactions and may form salts or esters. Additionally, the aromatic rings in its structure can engage in π-π stacking interactions, which may influence its behavior in various chemical environments. This compound may have applications in pharmaceuticals or materials science, particularly due to its potential biological activity and ability to interact with other molecular entities. As with many organic compounds, safety and handling precautions should be observed, given its potential reactivity and toxicity.
Formula:C17H12O3S
InChI:InChI=1S/C17H12O3S/c1-10-11-6-4-5-9-14(11)21-16(10)15(18)12-7-2-3-8-13(12)17(19)20/h2-9H,1H3,(H,19,20)
InChI key:InChIKey=VDVUQDXJGUWTNV-UHFFFAOYSA-N
SMILES:C(=O)(C1=C(C)C=2C(S1)=CC=CC2)C3=C(C(O)=O)C=CC=C3
Synonyms:
  • 2-[(3-Methylbenzo[b]thiophen-2-yl)carbonyl]benzoic acid
  • 2-(3-Methylbenzo[b]thiophene-2-carbonyl)benzoic acid
  • 2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid
  • Benzoic acid, 2-[(3-methylbenzo[b]thien-2-yl)carbonyl]-
  • 2-[(3-Methylbenzo[b]thien-2-yl)carbonyl]benzoic acid
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