Cas no 222734-73-8 (N-cyano-N-methyl-3-(methylsulfanyl)aniline)

N-cyano-N-methyl-3-(methylsulfanyl)aniline is a specialized organic compound featuring a cyano group, a methylated amine, and a methylsulfanyl substituent on an aromatic ring. This structure imparts unique reactivity, making it valuable as an intermediate in agrochemical and pharmaceutical synthesis. The presence of both electron-withdrawing (cyano) and electron-donating (methylsulfanyl) groups enhances its versatility in nucleophilic and electrophilic reactions. Its stability under standard conditions ensures reliable handling and storage. The compound is particularly useful in constructing heterocyclic frameworks and modifying bioactive molecules, offering precise control in fine chemical applications. High purity grades are available to meet stringent industrial and research requirements.
N-cyano-N-methyl-3-(methylsulfanyl)aniline structure
222734-73-8 structure
Product Name:N-cyano-N-methyl-3-(methylsulfanyl)aniline
CAS No:222734-73-8
MF:C9H10N2S
MW:178.254100322723
CID:1408209
PubChem ID:10654914
Update Time:2025-05-22

N-cyano-N-methyl-3-(methylsulfanyl)aniline Chemical and Physical Properties

Names and Identifiers

    • Cyanamide, methyl[3-(methylthio)phenyl]-
    • AT38242
    • MSHIIKXFGRGEHA-UHFFFAOYSA-N
    • N-cyano-N-methyl-3-(methylsulfanyl)aniline
    • N-METHYL-N-(3-(METHYLTHIO)PHENYL)CYANAMIDE
    • EN300-108836
    • 222734-73-8
    • SCHEMBL1322408
    • CS-0231557
    • Methyl-(3-methylsulfanylphenyl)cyanamide
    • Methyl-(3-methylthio-phenyl)-cyanamide
    • Z1198232850
    • AKOS006326423
    • Inchi: 1S/C9H10N2S/c1-11(7-10)8-4-3-5-9(6-8)12-2/h3-6H,1-2H3
    • InChI Key: MSHIIKXFGRGEHA-UHFFFAOYSA-N
    • SMILES: S(C)C1=CC=CC(=C1)N(C#N)C

Computed Properties

  • Exact Mass: 178.0566
  • Monoisotopic Mass: 178.05646950g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 184
  • 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: 2.6
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • PSA: 27.03

N-cyano-N-methyl-3-(methylsulfanyl)aniline Pricemore >>

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Additional information on N-cyano-N-methyl-3-(methylsulfanyl)aniline

N-Cyano-N-Methyl-3-(Methylsulfanyl)Aniline: A Comprehensive Overview

N-Cyano-N-Methyl-3-(Methylsulfanyl)Aniline (CAS No. 222734-73-8) is a versatile organic compound with a unique chemical structure that has garnered significant attention in various fields of research and industrial applications. This compound, characterized by its aniline backbone, features a cyano group, a methyl group, and a methylsulfanyl substituent, making it a valuable intermediate in organic synthesis. The cyano group contributes to the compound's reactivity, while the methylsulfanyl group imparts distinct electronic and steric properties. Recent studies have highlighted its potential in drug discovery, material science, and as a precursor for advanced materials.

The synthesis of N-Cyano-N-Methyl-3-(Methylsulfanyl)Aniline involves multi-step organic reactions, often leveraging modern catalytic techniques to enhance yield and selectivity. Researchers have explored various pathways, including nucleophilic substitution and coupling reactions, to optimize its production. The compound's ability to undergo further functionalization has made it a cornerstone in the development of bioactive molecules. For instance, recent advancements in medicinal chemistry have utilized this compound as a building block for designing inhibitors targeting specific enzymes involved in diseases such as cancer and neurodegenerative disorders.

In the realm of material science, N-Cyano-N-Methyl-3-(Methylsulfanyl)Aniline has shown promise as a precursor for advanced polymers and hybrid materials. Its ability to form stable bonds with other functional groups enables the creation of materials with tailored properties, such as enhanced thermal stability and mechanical strength. Studies published in high-impact journals have demonstrated its application in the synthesis of conducting polymers, which are critical for next-generation electronics and energy storage devices.

The compound's electronic properties are further enhanced by its sulfur-containing substituent, which facilitates redox reactions. This feature has been exploited in electrochemical applications, including the development of novel electrodes for batteries and supercapacitors. Recent research has focused on improving the compound's electrochemical performance through controlled synthesis and surface modification techniques.

From an environmental perspective, N-Cyano-N-Methyl-3-(Methylsulfanyl)Aniline exhibits biodegradability under specific conditions, making it a sustainable choice for certain industrial processes. Its eco-friendly profile aligns with global efforts to develop greener chemical technologies. Researchers are actively investigating methods to minimize waste generation during its synthesis and maximize its recycling potential.

In conclusion, N-Cyano-N-Methyl-3-(Methylsulfanyl)Aniline (CAS No. 222734-73-8) stands out as a multifaceted compound with immense potential across diverse scientific disciplines. Its unique chemical structure, coupled with recent advancements in synthetic methodologies and application-oriented research, positions it as a key player in driving innovation in modern chemistry. As ongoing studies continue to unravel its full potential, this compound is poised to make significant contributions to both academic research and industrial applications.

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