Cas no 879088-84-3 (methyl 2-chloro-4-sulfanylbenzoate)

Methyl 2-chloro-4-sulfanylbenzoate is a versatile intermediate in organic synthesis, characterized by the presence of both chloro and sulfanyl functional groups on a benzoate ester framework. This compound is particularly valuable in pharmaceutical and agrochemical research due to its reactivity, enabling selective modifications for the development of bioactive molecules. The chloro substituent enhances electrophilic properties, while the sulfanyl group offers nucleophilic potential, facilitating diverse derivatization pathways. Its ester moiety further allows for hydrolysis or transesterification, broadening its utility in synthetic applications. The compound’s stability under standard conditions ensures reliable handling and storage, making it a practical choice for complex synthetic workflows.
methyl 2-chloro-4-sulfanylbenzoate structure
879088-84-3 structure
Product Name:methyl 2-chloro-4-sulfanylbenzoate
CAS No:879088-84-3
MF:C8H7ClO2S
MW:202.657980203629
CID:1918791
PubChem ID:66877363
Update Time:2025-10-05

methyl 2-chloro-4-sulfanylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-chloro-4-mercapto-, methyl ester
    • methyl 2-chloro-4-sulfanylbenzoate
    • GXECVIMKPUKHCQ-UHFFFAOYSA-N
    • 879088-84-3
    • methyl 2-chloro-4-mercaptobenzoate
    • EN300-1995190
    • SCHEMBL1015578
    • Inchi: 1S/C8H7ClO2S/c1-11-8(10)6-3-2-5(12)4-7(6)9/h2-4,12H,1H3
    • InChI Key: GXECVIMKPUKHCQ-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=CC=1C(=O)OC)S

Computed Properties

  • Exact Mass: 201.9855283g/mol
  • Monoisotopic Mass: 201.9855283g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 174
  • 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: 3.6
  • Topological Polar Surface Area: 27.3?2

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Additional information on methyl 2-chloro-4-sulfanylbenzoate

Methyl 2-Chloro-4-sulfanylbenzoate (CAS No. 879088-84-3): A Comprehensive Overview of Its Properties and Applications

Methyl 2-chloro-4-sulfanylbenzoate (CAS No. 879088-84-3) is a specialized organic compound that has garnered significant attention in the fields of pharmaceutical research, agrochemical development, and material science. This compound, characterized by its unique molecular structure featuring a chloro and sulfanyl functional group, serves as a versatile intermediate in synthetic chemistry. Its CAS number 879088-84-3 is often used by researchers to identify and procure this compound for various experimental and industrial applications.

The growing interest in methyl 2-chloro-4-sulfanylbenzoate is partly driven by its potential role in the development of novel bioactive molecules. Recent trends in green chemistry and sustainable synthesis have highlighted the importance of such intermediates in reducing environmental impact while maintaining high efficiency. Researchers are increasingly exploring its use in catalysis and ligand design, aligning with the global push for eco-friendly chemical processes.

One of the key questions frequently searched by users is: *"What are the synthetic routes for methyl 2-chloro-4-sulfanylbenzoate?"* The compound can be synthesized through esterification and sulfhydrylation reactions, often starting from 2-chloro-4-mercaptobenzoic acid. Its methyl ester form enhances solubility and reactivity, making it a preferred choice for further derivatization. The sulfanyl group in particular offers opportunities for thiol-ene click chemistry, a popular topic in modern polymer and material science.

Another hot topic is the stability and storage conditions of CAS No. 879088-84-3. Proper handling under inert atmospheres and low temperatures is recommended to preserve its integrity. This aligns with broader industry concerns about chemical shelf life and handling safety, which are frequently searched terms in academic and industrial databases.

In the pharmaceutical sector, methyl 2-chloro-4-sulfanylbenzoate is investigated for its potential as a building block in drug discovery. Its structural motifs are found in compounds with antimicrobial and anti-inflammatory properties, making it a subject of interest for researchers developing new therapeutic agents. The chloro and sulfanyl groups contribute to its ability to interact with biological targets, a feature often explored in medicinal chemistry.

From an SEO perspective, terms like *"buy methyl 2-chloro-4-sulfanylbenzoate"*, *"CAS 879088-84-3 supplier"*, and *"applications of sulfanylbenzoate derivatives"* are commonly searched. These reflect the commercial and academic demand for this compound. Suppliers and researchers alike emphasize the need for high-purity grades to ensure consistent results in experiments and industrial processes.

In summary, methyl 2-chloro-4-sulfanylbenzoate (CAS No. 879088-84-3) is a multifaceted compound with broad applicability in research and industry. Its relevance to sustainable chemistry, drug development, and material innovation ensures its continued prominence in scientific discourse. As advancements in synthetic methodologies progress, this compound is likely to play an even more critical role in addressing contemporary challenges in chemistry and beyond.

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