Cas no 189331-61-1 (3-Thiophenecarboxylic acid, 2,5-dichloro-4-methyl-)

3-Thiophenecarboxylic acid, 2,5-dichloro-4-methyl- structure
189331-61-1 structure
Product Name:3-Thiophenecarboxylic acid, 2,5-dichloro-4-methyl-
CAS No:189331-61-1
MF:C6H4Cl2O2S
MW:211.065758705139
CID:3846574
PubChem ID:18938016
Update Time:2025-11-02

3-Thiophenecarboxylic acid, 2,5-dichloro-4-methyl- Chemical and Physical Properties

Names and Identifiers

    • 3-Thiophenecarboxylic acid, 2,5-dichloro-4-methyl-
    • 2,5-dichloro-4-methylthiophene-3-carboxylic acid
    • SCHEMBL8629628
    • 189331-61-1
    • EN300-6743485
    • 2,5-dichloro-4-methylthiophene-3-carboxylicacid
    • Z1509027585
    • 843-517-4
    • Inchi: 1S/C6H4Cl2O2S/c1-2-3(6(9)10)5(8)11-4(2)7/h1H3,(H,9,10)
    • InChI Key: JPYXBZFCVCNOHB-UHFFFAOYSA-N
    • SMILES: ClC1=C(C)C(C(=O)O)=C(S1)Cl

Computed Properties

  • Exact Mass: 209.9309059g/mol
  • Monoisotopic Mass: 209.9309059g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 176
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 65.5?2

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Additional information on 3-Thiophenecarboxylic acid, 2,5-dichloro-4-methyl-

Recent Advances in the Study of 3-Thiophenecarboxylic acid, 2,5-dichloro-4-methyl- (CAS: 189331-61-1)

3-Thiophenecarboxylic acid, 2,5-dichloro-4-methyl- (CAS: 189331-61-1) is a thiophene derivative that has garnered significant attention in the field of chemical biology and pharmaceutical research due to its potential applications in drug discovery and development. Recent studies have explored its role as a key intermediate in the synthesis of bioactive compounds, particularly in the development of antimicrobial and anticancer agents. This research brief aims to summarize the latest findings related to this compound, highlighting its chemical properties, biological activities, and potential therapeutic applications.

The compound's unique structural features, including the dichloro and methyl substitutions on the thiophene ring, contribute to its reactivity and ability to interact with biological targets. Recent synthetic methodologies have focused on optimizing the production of 3-Thiophenecarboxylic acid, 2,5-dichloro-4-methyl-, with an emphasis on yield improvement and environmental sustainability. Advances in catalytic processes and green chemistry approaches have been particularly noteworthy, offering more efficient and eco-friendly routes to its synthesis.

In terms of biological activity, studies have demonstrated that 3-Thiophenecarboxylic acid, 2,5-dichloro-4-methyl- exhibits promising antimicrobial properties against a range of Gram-positive and Gram-negative bacteria. Mechanistic investigations suggest that its activity may be linked to the disruption of bacterial cell membrane integrity and inhibition of essential enzymatic processes. Additionally, preliminary in vitro studies have indicated potential anticancer effects, with the compound showing cytotoxicity against certain cancer cell lines. These findings underscore its potential as a scaffold for further drug development.

Recent pharmacological evaluations have also explored the compound's pharmacokinetic and toxicological profiles. While initial results are encouraging, further in vivo studies are needed to fully assess its safety and efficacy. Researchers have highlighted the importance of structural modifications to enhance its bioavailability and reduce potential side effects. Computational modeling and structure-activity relationship (SAR) studies are being employed to guide these modifications, with the goal of optimizing its therapeutic potential.

In conclusion, 3-Thiophenecarboxylic acid, 2,5-dichloro-4-methyl- (CAS: 189331-61-1) represents a promising candidate for further investigation in the field of medicinal chemistry. Its versatile chemical structure and demonstrated biological activities make it a valuable tool for the development of new therapeutic agents. Future research should focus on expanding its applications, improving synthetic methodologies, and conducting comprehensive preclinical studies to validate its potential in clinical settings.

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