Cas no 130373-85-2 ([1,1'-Biphenyl]-4-carbonitrile, 4'-(methylthio)-)

[1,1'-Biphenyl]-4-carbonitrile, 4'-(methylthio)- is a biphenyl derivative featuring a cyano group at the 4-position and a methylthio substituent at the 4'-position. This compound is valued for its role as an intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and liquid crystal materials. The electron-withdrawing cyano group and electron-donating methylthio moiety contribute to its utility in cross-coupling reactions and as a building block for more complex structures. Its well-defined molecular framework ensures consistent reactivity, making it suitable for precision applications in research and industrial processes. The compound is typically handled under standard laboratory conditions, with attention to stability and compatibility in synthetic workflows.
[1,1'-Biphenyl]-4-carbonitrile, 4'-(methylthio)- structure
130373-85-2 structure
Product Name:[1,1'-Biphenyl]-4-carbonitrile, 4'-(methylthio)-
CAS No:130373-85-2
MF:C14H11NS
MW:225.308841943741
MDL:MFCD05981856
CID:2898189
Update Time:2025-05-21

[1,1'-Biphenyl]-4-carbonitrile, 4'-(methylthio)- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-4-carbonitrile, 4'-(methylthio)-
    • MDL: MFCD05981856
    • Inchi: 1S/C14H11NS/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-9H,1H3
    • InChI Key: VWUFEABCXBNBGW-UHFFFAOYSA-N
    • SMILES: C1(C2=CC=C(SC)C=C2)=CC=C(C#N)C=C1

Computed Properties

  • Exact Mass: 225.061
  • Monoisotopic Mass: 225.061
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 251
  • 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

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Additional information on [1,1'-Biphenyl]-4-carbonitrile, 4'-(methylthio)-

Comprehensive Guide to [1,1'-Biphenyl]-4-carbonitrile, 4'-(methylthio)- (CAS No. 130373-85-2)

[1,1'-Biphenyl]-4-carbonitrile, 4'-(methylthio)- (CAS No. 130373-85-2) is a specialized organic compound that has garnered significant attention in the fields of pharmaceuticals, agrochemicals, and material science. This compound, characterized by its biphenyl backbone and functional groups, serves as a versatile intermediate in synthetic chemistry. Its unique structure, featuring a cyano group and a methylthio moiety, makes it valuable for designing advanced materials and bioactive molecules.

The growing interest in [1,1'-Biphenyl]-4-carbonitrile, 4'-(methylthio)- is driven by its potential applications in drug discovery and crop protection. Researchers are exploring its role in developing novel pharmaceutical intermediates and agrochemical formulations. With the rise of green chemistry and sustainable synthesis, this compound is also being studied for its compatibility with eco-friendly production methods.

One of the key advantages of [1,1'-Biphenyl]-4-carbonitrile, 4'-(methylthio)- is its stability under various reaction conditions, making it suitable for multi-step synthetic routes. Its electron-withdrawing cyano group and electron-donating methylthio group create a balanced electronic profile, which is advantageous in catalysis and molecular design. These properties align with current trends in high-performance materials and precision agriculture.

In the pharmaceutical industry, [1,1'-Biphenyl]-4-carbonitrile, 4'-(methylthio)- is being investigated for its potential as a building block in the synthesis of kinase inhibitors and antiviral agents. The compound's ability to modulate biological activity through structural modifications has made it a subject of interest in medicinal chemistry. Additionally, its role in fluorescence-based sensors is being explored, leveraging its aromatic properties for detection applications.

The agrochemical sector values [1,1'-Biphenyl]-4-carbonitrile, 4'-(methylthio)- for its potential in developing next-generation pesticides and herbicides. Its structural features contribute to improved pest resistance management and environmental compatibility, addressing the increasing demand for sustainable crop solutions. This aligns with global efforts to reduce the ecological footprint of agricultural practices.

From a market perspective, the demand for [1,1'-Biphenyl]-4-carbonitrile, 4'-(methylthio)- is expected to grow, driven by advancements in custom synthesis and contract research. Manufacturers are focusing on scalable production methods to meet the needs of pharmaceutical and agrochemical companies. The compound's versatility positions it as a key player in the fine chemicals market, with applications expanding into electronic materials and specialty coatings.

Quality control and analytical characterization of [1,1'-Biphenyl]-4-carbonitrile, 4'-(methylthio)- are critical for ensuring its performance in end-use applications. Techniques such as HPLC, NMR spectroscopy, and mass spectrometry are commonly employed to verify purity and structural integrity. These analytical methods are essential for maintaining the compound's suitability in high-value applications.

In conclusion, [1,1'-Biphenyl]-4-carbonitrile, 4'-(methylthio)- (CAS No. 130373-85-2) represents a promising compound with diverse applications across multiple industries. Its unique chemical properties, combined with the growing emphasis on sustainable chemistry and innovative material design, make it a valuable asset for researchers and manufacturers alike. As scientific understanding of this compound deepens, its role in addressing contemporary challenges in healthcare, agriculture, and technology is likely to expand further.

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