Cas no 80746-49-2 (Thiophene, 2-[(4-methylphenyl)ethynyl]-)

Thiophene, 2-[(4-methylphenyl)ethynyl]-, is a specialized organic compound featuring a thiophene core substituted with a 4-methylphenylethynyl group. This structure imparts unique electronic and steric properties, making it valuable in materials science and organic synthesis. The conjugated ethynyl linkage enhances π-electron delocalization, which is beneficial for applications in optoelectronic materials, such as organic semiconductors or light-emitting diodes (OLEDs). The methyl group on the phenyl ring offers moderate steric hindrance while maintaining solubility in common organic solvents. Its well-defined reactivity profile allows for further functionalization, enabling tailored modifications for advanced research in heterocyclic chemistry and polymer science. The compound is typically handled under inert conditions due to its sensitivity to oxidation.
Thiophene, 2-[(4-methylphenyl)ethynyl]- structure
80746-49-2 structure
Product Name:Thiophene, 2-[(4-methylphenyl)ethynyl]-
CAS No:80746-49-2
MF:C13H10S
MW:198.283502101898
CID:705097
PubChem ID:3798391
Update Time:2025-10-28

Thiophene, 2-[(4-methylphenyl)ethynyl]- Chemical and Physical Properties

Names and Identifiers

    • Thiophene, 2-[(4-methylphenyl)ethynyl]-
    • 2-[2-(4-methylphenyl)ethynyl]thiophene
    • MFCD04003890
    • CHEMBL220561
    • 2-p-tolylethynyl-thiophene
    • DTXSID90396565
    • SCHEMBL12744375
    • 80746-49-2
    • 2-(p-tolylethynyl)thiophene
    • Inchi: 1S/C13H10S/c1-11-4-6-12(7-5-11)8-9-13-3-2-10-14-13/h2-7,10H,1H3
    • InChI Key: HQCAKBZFSYMUGL-UHFFFAOYSA-N
    • SMILES: S1C=CC=C1C#CC1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 198.05
  • Monoisotopic Mass: 198.05
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 237
  • 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: 4
  • Topological Polar Surface Area: 28.2?2

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Thiophene, 2-[(4-methylphenyl)ethynyl]- Suppliers

Amadis Chemical Company Limited
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(CAS:80746-49-2)Thiophene, 2-[(4-methylphenyl)ethynyl]-
Order Number:A1228043
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 18:55
Price ($):2369

Additional information on Thiophene, 2-[(4-methylphenyl)ethynyl]-

Thiophene, 2-[(4-methylphenyl)ethynyl]- (CAS No. 80746-49-2): A Versatile Organic Compound for Advanced Applications

Thiophene, 2-[(4-methylphenyl)ethynyl]- (CAS No. 80746-49-2) is a highly specialized organic compound that has garnered significant attention in recent years due to its unique chemical structure and broad range of applications. This compound belongs to the thiophene derivatives family, which are known for their excellent electronic properties and versatility in organic synthesis. The presence of both a thiophene ring and an ethynyl group in its structure makes it particularly valuable for advanced material science and pharmaceutical research.

The molecular formula of Thiophene, 2-[(4-methylphenyl)ethynyl]- is C13H10S, and it features a conjugated system that enhances its optical and electronic characteristics. Researchers are increasingly interested in this compound for its potential use in organic semiconductors, photovoltaic cells, and OLED technologies. These applications align with the growing global demand for sustainable and energy-efficient materials, making CAS No. 80746-49-2 a hot topic in scientific discussions.

One of the most compelling aspects of Thiophene, 2-[(4-methylphenyl)ethynyl]- is its role in drug discovery. The thiophene moiety is a common pharmacophore in medicinal chemistry, often associated with bioactive molecules. Recent studies have explored its derivatives for potential anti-inflammatory and antimicrobial properties, addressing the urgent need for novel therapeutics in the face of rising antibiotic resistance.

In the field of material science, this compound is valued for its ability to form stable π-conjugated systems, which are crucial for developing high-performance conductive polymers. With the rapid advancement of flexible electronics and wearable technology, Thiophene, 2-[(4-methylphenyl)ethynyl]- is poised to play a pivotal role in next-generation devices. Its compatibility with solution-processing techniques further enhances its appeal for large-scale manufacturing.

The synthesis of Thiophene, 2-[(4-methylphenyl)ethynyl]- typically involves Sonogashira coupling or similar cross-coupling reactions, which are well-established in organic chemistry. These methods allow for high yields and excellent purity, making the compound accessible for both academic and industrial research. As sustainability becomes a key focus in chemical production, efforts are underway to optimize these synthetic routes for green chemistry compliance.

Market trends indicate a rising demand for specialty chemicals like CAS No. 80746-49-2, driven by innovations in renewable energy and healthcare technologies. Analysts project steady growth in the thiophene derivatives market, with particular emphasis on compounds that offer multifunctional properties. This aligns with frequent search queries such as "thiophene-based materials for solar cells" and "applications of ethynyl thiophenes in medicine," reflecting widespread interest in these areas.

From a safety perspective, Thiophene, 2-[(4-methylphenyl)ethynyl]- requires standard laboratory handling procedures. While not classified as hazardous under normal conditions, proper personal protective equipment (PPE) should always be used when working with this compound. Its stability under ambient conditions makes it suitable for various experimental setups without requiring specialized storage solutions.

Looking ahead, the scientific community continues to explore new frontiers for Thiophene, 2-[(4-methylphenyl)ethynyl]-. Emerging research areas include its potential in molecular electronics and as a building block for metal-organic frameworks (MOFs). These developments respond to trending searches about "smart materials chemistry" and "advanced organic compounds for technology," demonstrating the compound's relevance to cutting-edge innovation.

For researchers and industry professionals seeking detailed technical specifications, CAS No. 80746-49-2 is readily available through reputable chemical suppliers worldwide. Comprehensive data sheets typically include information on melting point, solubility, and spectroscopic properties, facilitating its integration into diverse experimental protocols. The compound's well-characterized nature makes it an excellent choice for both fundamental studies and applied research projects.

In conclusion, Thiophene, 2-[(4-methylphenyl)ethynyl]- represents a fascinating intersection of chemistry, materials science, and biomedical research. Its unique structural features and adaptable properties position it as a valuable tool for addressing some of today's most pressing technological and healthcare challenges. As interest in functional organic molecules continues to grow, this compound will undoubtedly remain at the forefront of scientific exploration and industrial application.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:80746-49-2)Thiophene, 2-[(4-methylphenyl)ethynyl]-
A1228043
Purity:99%
Quantity:5g
Price ($):2369
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