Cas no 22132-97-4 (imino(methyl)(4-methylphenyl)-lambda6-sulfanone)

imino(methyl)(4-methylphenyl)-lambda6-sulfanone structure
22132-97-4 structure
Product Name:imino(methyl)(4-methylphenyl)-lambda6-sulfanone
CAS No:22132-97-4
MF:C8H11NOS
MW:169.244040727615
MDL:MFCD00102067
CID:277226
PubChem ID:299578
Update Time:2025-11-01

imino(methyl)(4-methylphenyl)-lambda6-sulfanone Chemical and Physical Properties

Names and Identifiers

    • Sulfoximine,S-methyl-S-(4-methylphenyl)-
    • imino-methyl-(4-methylphenyl)-oxo-λ<sup>6</sup>-sulfane
    • S-Methyl-S-(4-Methylphenyl) sulfoxiMine
    • (RS)-S-methyl-S-(p-tolyl)sulphoximide
    • 1-methyl-4-(S-methylsulfonimidoyl)benzene
    • AC1L6UUA
    • FT-0605072
    • imino-methyl-(4-methylphenyl)-oxo-
    • N-methyl p-tolyl sulfoximine
    • NSC172827
    • S-Methyl-S-(p-tolyl)sulfoximine
    • S-Methyl-S-p-tolyl-sulfoximid
    • S-methyl-S-p-tolyl-sulfoximide
    • S-methyl-S-p-tolylsulfoximine
    • imino(methyl)(4-methylphenyl)-lambda6-sulfanone
    • 22132-97-4
    • imino-methyl-(4-methylphenyl)-oxo-lambda6-sulfane
    • E6-sulfane
    • (R)-Imino(methyl)(p-tolyl)-l6-sulfanone
    • SCHEMBL488382
    • DTXSID00305941
    • AKOS006274399
    • NSC-172827
    • E74564
    • SS-4987
    • EN300-307830
    • 1-(S-Methanesulfonimidoyl)-4-methylbenzene
    • Imino(methyl)(p-tolyl)-_6-sulfanone
    • GS0112
    • CS-0160358
    • imino(methyl)(p-tolyl)-l6-sulfanone
    • IMINO(METHYL)(4-METHYLPHENYL)-??-SULFANONE
    • MDL: MFCD00102067
    • Inchi: 1S/C8H11NOS/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6,9H,1-2H3
    • InChI Key: XOMQMMJNWFJFBZ-UHFFFAOYSA-N
    • SMILES: S(C)(C1C=CC(C)=CC=1)(=N)=O

Computed Properties

  • Exact Mass: 169.05623
  • Monoisotopic Mass: 169.056
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 222
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 49.3A^2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 253.6±33.0 °C at 760 mmHg
  • Flash Point: 107.2±25.4 °C
  • Refractive Index: 1.54
  • PSA: 40.92
  • LogP: 2.99590
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

imino(methyl)(4-methylphenyl)-lambda6-sulfanone Security Information

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imino(methyl)(4-methylphenyl)-lambda6-sulfanone Related Literature

Additional information on imino(methyl)(4-methylphenyl)-lambda6-sulfanone

Introduction to Imino(methyl)(4-methylphenyl)-lambda6-sulfanone (CAS No: 22132-97-4)

Imino(methyl)(4-methylphenyl)-lambda6-sulfanone, identified by its Chemical Abstracts Service (CAS) number 22132-97-4, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and bioorganic synthesis. This compound belongs to the class of sulfanone derivatives, which are well-known for their diverse biological activities and potential therapeutic applications. The structural motif of this molecule, featuring an imino group linked to a methyl substituent and a 4-methylphenyl ring, combined with the presence of a lambda6-sulfanone core, positions it as a promising candidate for further investigation in drug discovery and medicinal chemistry.

The imino(methyl)(4-methylphenyl)-lambda6-sulfanone structure exhibits unique electronic and steric properties that make it an attractive scaffold for designing novel bioactive molecules. The imino functionality, characterized by a carbon-nitrogen double bond, introduces reactivity and potential hydrogen bonding capabilities, which are crucial for interactions with biological targets. Meanwhile, the 4-methylphenyl ring contributes to hydrophobicity and can modulate the compound's solubility and metabolic stability. The lambda6-sulfanone moiety, a derivative of sulfanone, is known for its ability to engage in multiple hydrogen bonding interactions, enhancing binding affinity to biological receptors.

In recent years, sulfanone derivatives have been extensively studied due to their broad spectrum of biological activities. These compounds have shown promise in various therapeutic areas, including anti-inflammatory, anti-viral, anti-cancer, and antimicrobial applications. The imino(methyl)(4-methylphenyl)-lambda6-sulfanone molecule, with its unique structural features, is anticipated to exhibit similar properties while offering novel mechanisms of action. Preliminary computational studies suggest that this compound may interact with biological targets through both covalent and non-covalent binding interactions, making it a versatile tool for medicinal chemists.

One of the most compelling aspects of this compound is its potential as a kinase inhibitor. Kinases are enzymes that play critical roles in cellular signaling pathways and are frequently implicated in diseases such as cancer. By designing molecules that selectively inhibit aberrant kinase activity, researchers aim to develop treatments that target the underlying molecular mechanisms of these diseases. The presence of the imino group in imino(methyl)(4-methylphenyl)-lambda6-sulfanone provides a handle for covalent bond formation with key residues in kinase active sites, potentially leading to high-affinity inhibition.

Furthermore, the 4-methylphenyl substituent can be tailored to optimize solubility and pharmacokinetic properties. This flexibility allows medicinal chemists to fine-tune the compound's physicochemical properties while maintaining its biological activity. For instance, modifications to the aromatic ring or the attached groups can enhance oral bioavailability or reduce off-target effects. Such optimizations are essential for translating promising candidates into viable drug candidates.

The synthesis of imino(methyl)(4-methylphenyl)-lambda6-sulfanone presents an interesting challenge due to its complex structural features. Traditional synthetic routes may involve multi-step sequences involving condensation reactions, cyclization processes, and functional group transformations. Advanced synthetic methodologies, such as transition-metal-catalyzed cross-coupling reactions or organometallic chemistry techniques, could provide more efficient pathways to construct this molecule. Recent advances in synthetic organic chemistry have enabled the rapid assembly of complex heterocyclic systems like sulfanones with high precision and yield.

Recent research has highlighted the importance of sulfanone derivatives in modulating immune responses. The ability of these compounds to interact with immune cell receptors and signaling pathways has opened new avenues for treating autoimmune diseases and infections. The unique structural features of imino(methyl)(4-methylphenyl)-lambda6-sulfanone, particularly its capacity for multiple hydrogen bonding interactions via the sulfanone core and imino group, make it a strong candidate for modulating immune functions. Studies suggest that this compound may influence cytokine production or immune cell differentiation by engaging with specific receptors or intracellular signaling molecules.

In addition to their immunomodulatory potential, sulfanone derivatives have shown promise in anticancer therapies. The ability of these compounds to disrupt oncogenic signaling pathways or induce apoptosis in cancer cells has been demonstrated in several preclinical studies. The imino(methyl)(4-methylphenyl)-lambda6-sulfanone molecule may similarly interfere with cancer cell proliferation by inhibiting key enzymes or transcription factors involved in tumor growth. Its unique chemical scaffold could also allow it to evade metabolic degradation or resistance mechanisms commonly observed with existing anticancer drugs.

The development of new methodologies for analyzing the biological activity of small molecules is critical for advancing drug discovery efforts. Techniques such as high-throughput screening (HTS), X-ray crystallography, and computational modeling have been instrumental in understanding how compounds like imino(methyl)(4-methylphenyl)-lambda6-sulfanone interact with biological targets at both molecular and cellular levels. These approaches provide valuable insights into structure-activity relationships (SAR) and help guide further optimization efforts.

The pharmacokinetic profile of any drug candidate is another critical factor determining its clinical efficacy. Factors such as absorption rate (A), distribution (D), metabolism (M), excretion (E), and toxicity (T) must be carefully evaluated before advancing a compound into clinical trials. Computational tools like molecular dynamics simulations can predict how imino(methyl)(4-methylphenyl)-lambda6-sulfanone behaves within biological systems over time, providing estimates of its half-life or tissue distribution patterns.

In conclusion,Imino(methyl)(4-methylphenyl)-lambda6-sulfanone(CAS No: 22132-97-4) represents an intriguing compound with significant potential in pharmaceutical research due to its unique structural features and diverse biological activities reported thus far. Its ability to interact with various biological targets suggests applications across multiple therapeutic areas including oncology immunology cancer biology among others while challenges associated synthesis optimization remain areas ripe exploration future studies will likely continue uncover exciting possibilities associated development novel treatments based upon this promising scaffold

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