Cas no 1137576-60-3 (2,4-dichloro-6-(methylsulfanyl)pyrimidine)

2,4-dichloro-6-(methylsulfanyl)pyrimidine structure
1137576-60-3 structure
Product Name:2,4-dichloro-6-(methylsulfanyl)pyrimidine
CAS No:1137576-60-3
MF:C5H4Cl2N2S
MW:195.069657325745
MDL:MFCD28787055
CID:4492337
PubChem ID:19693883
Update Time:2025-10-29

2,4-dichloro-6-(methylsulfanyl)pyrimidine Chemical and Physical Properties

Names and Identifiers

    • Pyrimidine, 2,4-dichloro-6-(methylthio)-
    • 2,4-dichloro-6-(methylsulfanyl)pyrimidine
    • MVB57660
    • SB57107
    • Z1946942620
    • 2,4-Dichloro-6-(methylthio)pyrimidine
    • EN300-194820
    • SCHEMBL13741495
    • 823-108-7
    • AT23721
    • 1137576-60-3
    • DB-376175
    • 2,4-dichloro-6-methylsulfanylpyrimidine
    • MDL: MFCD28787055
    • Inchi: 1S/C5H4Cl2N2S/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3
    • InChI Key: OYUCPHYZEOODST-UHFFFAOYSA-N
    • SMILES: C1(Cl)=NC(SC)=CC(Cl)=N1

Computed Properties

  • Exact Mass: 193.9472247Da
  • Monoisotopic Mass: 193.9472247Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 114
  • 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
  • Topological Polar Surface Area: 51.1?2

2,4-dichloro-6-(methylsulfanyl)pyrimidine Pricemore >>

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2,4-dichloro-6-(methylsulfanyl)pyrimidine Related Literature

Additional information on 2,4-dichloro-6-(methylsulfanyl)pyrimidine

Comprehensive Guide to 2,4-Dichloro-6-(methylsulfanyl)pyrimidine (CAS No. 1137576-60-3): Properties, Applications, and Market Insights

2,4-Dichloro-6-(methylsulfanyl)pyrimidine (CAS No. 1137576-60-3) is a specialized heterocyclic compound widely used in pharmaceutical and agrochemical research. This chlorinated pyrimidine derivative features a unique molecular structure with two chlorine atoms at the 2- and 4-positions and a methylsulfanyl group at the 6-position, making it a versatile building block for various synthetic applications.

The compound's molecular formula C5H4Cl2N2S and molecular weight of 195.07 g/mol contribute to its distinct chemical behavior. Researchers value 2,4-dichloro-6-(methylsulfanyl)pyrimidine for its excellent reactivity in nucleophilic substitution reactions, particularly in the development of pyrimidine-based pharmaceuticals and crop protection agents. Its crystalline form and moderate solubility in organic solvents make it suitable for various laboratory and industrial processes.

In pharmaceutical applications, 2,4-dichloro-6-(methylsulfanyl)pyrimidine serves as a key intermediate for synthesizing potential kinase inhibitors and anticancer agents. The compound's ability to undergo selective substitution reactions allows medicinal chemists to create diverse molecular architectures. Recent studies have explored its utility in developing targeted therapies for various diseases, aligning with the growing interest in personalized medicine and precision drug design.

The agrochemical industry utilizes 2,4-dichloro-6-(methylsulfanyl)pyrimidine in developing novel herbicides and fungicides. With increasing global focus on sustainable agriculture and crop yield optimization, this compound has gained attention for its potential in creating more effective and environmentally friendly plant protection products. Its structural features allow for modifications that can enhance specificity while reducing non-target effects.

From a market perspective, demand for 2,4-dichloro-6-(methylsulfanyl)pyrimidine has shown steady growth, particularly in regions with strong pharmaceutical and agrochemical research sectors. The compound's supply chain and manufacturing processes have evolved to meet the increasing requirements for purity and consistency. Quality control measures typically include HPLC analysis, NMR verification, and mass spectrometry to ensure product specifications are met.

Recent advancements in green chemistry have influenced the synthesis approaches for 2,4-dichloro-6-(methylsulfanyl)pyrimidine. Researchers are exploring more sustainable routes that minimize waste generation and reduce the use of hazardous reagents. These developments align with the pharmaceutical industry's push toward environmentally benign processes and green synthesis methodologies.

Storage and handling of 2,4-dichloro-6-(methylsulfanyl)pyrimidine require standard laboratory precautions. The compound should be kept in airtight containers away from moisture and light to maintain stability. While not classified as highly hazardous, proper personal protective equipment including gloves and safety glasses should be used when working with this chemical.

The analytical characterization of 2,4-dichloro-6-(methylsulfanyl)pyrimidine typically involves multiple techniques. Spectroscopic methods such as infrared spectroscopy and UV-Vis spectroscopy help confirm its structural features, while chromatographic techniques ensure purity. These analytical protocols are crucial for researchers who require high-quality materials for their synthetic work.

Future research directions for 2,4-dichloro-6-(methylsulfanyl)pyrimidine may explore its potential in material science applications, particularly in the development of organic electronic materials. The compound's conjugated system and substitution pattern make it an interesting candidate for creating novel semiconducting materials or molecular sensors.

For researchers sourcing 2,4-dichloro-6-(methylsulfanyl)pyrimidine, it's important to verify suppliers' certificates of analysis and quality assurance protocols. The compound is available in various quantities, from milligram-scale for research purposes to kilogram quantities for industrial applications. Pricing typically reflects purity grade and purchase volume.

In summary, 2,4-dichloro-6-(methylsulfanyl)pyrimidine (CAS No. 1137576-60-3) represents an important chemical building block with diverse applications in medicinal chemistry and agrochemical development. Its unique structural features and reactivity profile continue to make it valuable for researchers working on drug discovery and crop protection solutions. As synthetic methodologies advance and application areas expand, this compound is likely to maintain its relevance in scientific research and industrial applications.

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