Cas no 90732-58-4 ({[(4-Chlorophenyl)methyl]sulfanyl}methanimidamide hydrobromide)

Technical Introduction: {[(4-Chlorophenyl)methyl]sulfanyl}methanimidamide hydrobromide is a chemically synthesized compound featuring a 4-chlorobenzylthio group linked to a methanimidamide core, stabilized as a hydrobromide salt. This structure imparts stability and enhanced solubility, making it suitable for applications in pharmaceutical intermediates or organic synthesis. The presence of the chlorophenyl moiety may contribute to specific reactivity patterns, particularly in nucleophilic substitution or coordination chemistry. The hydrobromide form ensures improved handling and storage characteristics. Its well-defined molecular architecture allows for precise modifications, supporting its utility in research settings requiring tailored sulfanyl or amidine functionalities. Analytical purity and consistent batch-to-batch performance underscore its reliability for experimental or industrial use.
{[(4-Chlorophenyl)methyl]sulfanyl}methanimidamide hydrobromide structure
90732-58-4 structure
Product Name:{[(4-Chlorophenyl)methyl]sulfanyl}methanimidamide hydrobromide
CAS No:90732-58-4
MF:C8H10BrClN2S
MW:281.600398540497
MDL:MFCD00050550
CID:995059
PubChem ID:12572744
Update Time:2025-05-20

{[(4-Chlorophenyl)methyl]sulfanyl}methanimidamide hydrobromide Chemical and Physical Properties

Names and Identifiers

    • (4-chlorophenyl)methyl carbamimidothioate,bromide
    • 90732-58-4
    • NSC-25254
    • NSC25254
    • (4-chlorophenyl)methyl carbamimidothioate;hydrobromide
    • {[(4-Chlorophenyl)methyl]sulfanyl}methanimidamide hydrobromide
    • MFCD00050550
    • MDL: MFCD00050550
    • Inchi: 1S/C8H9ClN2S.BrH/c9-7-3-1-6(2-4-7)5-12-8(10)11;/h1-4H,5H2,(H3,10,11);1H
    • InChI Key: XZGYFCWZQGBICU-UHFFFAOYSA-N
    • SMILES: Br.ClC1C=CC(=CC=1)CSC(=N)N

Computed Properties

  • Exact Mass: 279.94366g/mol
  • Monoisotopic Mass: 279.94366g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 155
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 75.2?2

{[(4-Chlorophenyl)methyl]sulfanyl}methanimidamide hydrobromide Pricemore >>

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Additional information on {[(4-Chlorophenyl)methyl]sulfanyl}methanimidamide hydrobromide

Introduction to [(4-Chlorophenyl)methyl]sulfanyl}methanimidamide hydrobromide (CAS No. 90732-58-4)

Compound with the CAS number 90732-58-4 and the product name [(4-Chlorophenyl)methyl]sulfanyl}methanimidamide hydrobromide represents a significant area of interest in the field of chemical biology and pharmaceutical research. This compound, characterized by its unique structural and functional properties, has garnered attention due to its potential applications in drug discovery and development. The molecular structure of this compound includes a 4-chlorophenyl moiety linked to a methylsulfanyl group, which is further connected to a methanimidamide moiety, all of which contribute to its distinct chemical behavior and reactivity.

The sulfanyl group in the molecule plays a crucial role in its interactions with biological targets. Sulfanyl groups are known for their ability to participate in hydrogen bonding and hydrophobic interactions, making them valuable in the design of molecules that need to interact with biological systems. The presence of the methanimidamide moiety suggests that this compound may have applications in the development of bioactive molecules that require specific functional groups for binding to biological targets. The hydrobromide salt form of this compound enhances its solubility in aqueous solutions, making it more suitable for various biochemical assays and pharmaceutical formulations.

In recent years, there has been a growing interest in the development of novel compounds that can modulate biological pathways associated with various diseases. The structural features of [(4-Chlorophenyl)methyl]sulfanyl}methanimidamide hydrobromide make it a promising candidate for further investigation in this context. For instance, studies have shown that compounds containing the methanimidamide moiety can exhibit inhibitory effects on certain enzymes and receptors involved in inflammatory responses and cancer progression. The 4-chlorophenyl group may contribute to the compound's binding affinity by providing additional interaction points with biological targets.

The potential applications of this compound are further highlighted by its ability to interact with proteins and enzymes through multiple binding sites. This property is particularly valuable in drug design, where molecules that can bind tightly and selectively to biological targets are highly sought after. The combination of the methylsulfanyl, methanimidamide, and 4-chlorophenyl groups creates a complex network of interactions that can be fine-tuned to achieve desired pharmacological effects.

The synthesis of [(4-Chlorophenyl)methyl]sulfanyl}methanimidamide hydrobromide involves a series of well-established organic reactions that highlight the expertise required in medicinal chemistry. The process typically begins with the preparation of key intermediates such as 4-chlorobenzyl bromide and methyl isocyanate, which are then coupled to form the methanimidamide core. Subsequent reactions introduce the sulfanyl group, followed by conversion to the hydrobromide salt to enhance solubility. Each step in the synthesis requires careful optimization to ensure high yields and purity, underscoring the importance of meticulous experimental design in pharmaceutical research.

In terms of biological activity, preliminary studies on [(4-Chlorophenyl)methyl]sulfanyl}methanimidamide hydrobromide have shown promising results in cell-based assays. These studies indicate that the compound can modulate signaling pathways associated with cell proliferation and inflammation. The ability of this compound to interact with specific proteins has led researchers to explore its potential as an inhibitor of kinases and other enzymes involved in disease pathways. Further investigation is needed to fully elucidate its mechanism of action and therapeutic potential.

The structural diversity offered by compounds like [(4-Chlorophenyl)methyl]sulfanyl}methanimidamide hydrobromide is a testament to the creativity and innovation inherent in modern drug discovery. By combining different functional groups into a single molecule, researchers can generate compounds with tailored properties that may not be achievable through traditional methods. This approach aligns with the growing trend toward rational drug design, where molecules are designed based on detailed knowledge of their target structures and interactions.

The future prospects for this compound are promising, particularly as more data becomes available on its biological activity and pharmacokinetic properties. Researchers are increasingly leveraging computational methods such as molecular docking and virtual screening to identify potential leads like this one more efficiently. These tools allow for rapid evaluation of large libraries of compounds, enabling scientists to prioritize those with the greatest potential for further development.

In conclusion, [(4-Chlorophenyl)methyl]sulfanyl}methanimidamide hydrobromide (CAS No. 90732-58-4) represents an exciting opportunity for researchers interested in developing novel therapeutic agents. Its unique structural features, combined with preliminary evidence of biological activity, make it a compelling candidate for further investigation. As our understanding of disease mechanisms continues to evolve, compounds like this one will play an increasingly important role in shaping new strategies for treatment.

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