Cas no 6939-11-3 (5-methoxy-2-sulfanylpyrimidin-4-ol)

5-Methoxy-2-sulfanylpyrimidin-4-ol is a heterocyclic compound featuring a pyrimidine core substituted with methoxy, sulfanyl, and hydroxyl functional groups. This structure imparts unique reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The presence of both sulfur and oxygen functionalities enhances its potential as a building block for biologically active molecules, particularly in the development of antimicrobial and antiviral agents. Its stability under standard conditions and compatibility with common organic reactions further contribute to its utility in research and industrial applications. The compound’s distinct electronic properties also make it suitable for studies in coordination chemistry and material science.
5-methoxy-2-sulfanylpyrimidin-4-ol structure
6939-11-3 structure
Product Name:5-methoxy-2-sulfanylpyrimidin-4-ol
CAS No:6939-11-3
MF:C5H6N2O2S
MW:158.178339481354
MDL:MFCD00466664
CID:525351
PubChem ID:2763759
Update Time:2025-11-02

5-methoxy-2-sulfanylpyrimidin-4-ol Chemical and Physical Properties

Names and Identifiers

    • 5-methoxy-2-sulfanylidene-1H-pyrimidin-4-one
    • 5-Methoxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
    • 4(1H)-Pyrimidinone, 2,3-dihydro-5-methoxy-2-thioxo-
    • 5-Methoxy-2-sulfanyl-4-pyrimidinol
    • 2-Mercapto-4-hydroxy-5-methoxypyrimidine
    • 5-Methoxy-2-thiouracil
    • 2-Mercapto-5-methoxypyrimidin-4-ol
    • 5-methoxy-2-sulfanylpyrimidin-4-ol
    • NSC56778
    • KSC811Q6P
    • TD8037
    • SBB087300
    • FCH920547
    • 2-Mercapto-5-methoxy-pyrimidin-4-ol
    • VZ30433
    • J-509773
    • Z1201619066
    • FT-0636298
    • 2-Mercapto-4-hydroxy-5-methoxypyrimidine; 5-Methoxy-2-sulfanyl-4-pyrimidinol; 5-Methoxy-2-thiouracil
    • 5-(methoxy)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
    • AKOS024462689
    • 5-methoxy-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
    • 3J-355S
    • SB57259
    • DTXSID70377135
    • CDFYFTSELDPCJA-UHFFFAOYSA-N
    • 4-Hydroxy-2-Mercapto-5-Methoxypyrimidine
    • 2-mercapto-5-methoxy-3H-pyrimidin-4-one
    • AC-907/30003043
    • AKOS005070237
    • CS-W017959
    • MFCD00094470
    • EN300-85914
    • A900740
    • NSC-56778
    • SCHEMBL1203808
    • 6939-11-3
    • MDL: MFCD00466664
    • Inchi: 1S/C5H6N2O2S/c1-9-3-2-6-5(10)7-4(3)8/h2H,1H3,(H2,6,7,8,10)
    • InChI Key: CDFYFTSELDPCJA-UHFFFAOYSA-N
    • SMILES: S=C1NC=C(C(N1)=O)OC

Computed Properties

  • Exact Mass: 158.01500
  • Monoisotopic Mass: 158.015
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 212
  • 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
  • Topological Polar Surface Area: 82.4
  • XLogP3: -0.2

Experimental Properties

  • Density: 1.43
  • Melting Point: 288-290 oC
  • Boiling Point: 348.4°C at 760 mmHg
  • Flash Point: 164.5°C
  • Refractive Index: 1.626
  • PSA: 94.04000
  • LogP: 0.47950

5-methoxy-2-sulfanylpyrimidin-4-ol Security Information

  • Hazard Category Code: 20/21/22
  • Safety Instruction: 36/37
  • HazardClass:IRRITANT

5-methoxy-2-sulfanylpyrimidin-4-ol Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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5-methoxy-2-sulfanylpyrimidin-4-ol Suppliers

Amadis Chemical Company Limited
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(CAS:6939-11-3)5-methoxy-2-sulfanylpyrimidin-4-ol
Order Number:A900740
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 12:06
Price ($):237.0

5-methoxy-2-sulfanylpyrimidin-4-ol Related Literature

Additional information on 5-methoxy-2-sulfanylpyrimidin-4-ol

5-Methoxy-2-sulfanylpyrimidin-4-ol (CAS No. 6939-11-3): A Versatile Pyrimidine Derivative with Broad Applications

5-Methoxy-2-sulfanylpyrimidin-4-ol (CAS No. 6939-11-3) is a specialized pyrimidine derivative that has garnered significant attention in pharmaceutical and biochemical research. This compound, also known as 5-methoxy-2-mercaptopyrimidin-4-ol, features a unique molecular structure combining methoxy, sulfanyl, and hydroxyl functional groups on a pyrimidine ring. Its chemical formula C5H6N2O2S represents a molecular weight of 158.18 g/mol, making it an important intermediate in organic synthesis.

The growing interest in pyrimidine derivatives like 5-methoxy-2-sulfanylpyrimidin-4-ol stems from their wide range of biological activities. Researchers are particularly focused on its potential as a building block for nucleoside analogs, which are crucial in antiviral and anticancer drug development. Recent studies published in the Journal of Medicinal Chemistry (2023) highlight how modifications of the pyrimidine core structure can enhance drug bioavailability and target specificity.

From a chemical perspective, 5-methoxy-2-sulfanylpyrimidin-4-ol exhibits interesting properties due to its tautomeric equilibrium. The compound can exist in various forms, including the thione and thiol tautomers, which influence its reactivity in synthetic applications. This characteristic makes it particularly valuable for creating heterocyclic compounds with potential pharmaceutical applications. Analytical techniques such as NMR spectroscopy and mass spectrometry are essential for characterizing this compound and its derivatives.

The synthesis of 5-methoxy-2-sulfanylpyrimidin-4-ol typically involves the reaction of 4-hydroxy-2-thiopyrimidine with methylating agents under controlled conditions. Recent advancements in green chemistry have led to more sustainable production methods, addressing the pharmaceutical industry's growing demand for environmentally friendly processes. These innovations align with current trends in green synthesis of heterocycles, a topic frequently searched by researchers in organic chemistry.

In pharmaceutical applications, 5-methoxy-2-sulfanylpyrimidin-4-ol serves as a key intermediate for developing modified nucleosides. Its structural features allow for the creation of compounds that can mimic natural nucleotides, potentially interfering with viral replication or cancer cell proliferation. The COVID-19 pandemic has renewed interest in such antiviral building blocks, as evidenced by increased search volumes for these terms in scientific databases.

Beyond medicinal chemistry, this compound finds use in materials science. Its ability to form stable complexes with metal ions makes it valuable for creating coordination polymers and metal-organic frameworks (MOFs). These materials have applications in catalysis, gas storage, and sensors - areas experiencing rapid growth according to market research reports. The compound's sulfur-containing group particularly enhances its metal-binding properties.

Quality control of 5-methoxy-2-sulfanylpyrimidin-4-ol requires careful analysis of purity and stability. HPLC methods with UV detection are commonly employed, with typical purity specifications exceeding 98%. Storage recommendations generally suggest keeping the compound in a cool, dry environment, protected from light to maintain stability. These handling protocols are crucial for researchers who frequently search for compound storage guidelines and stability information.

The market for pyrimidine derivatives like 5-methoxy-2-sulfanylpyrimidin-4-ol has shown steady growth, driven by pharmaceutical R&D investments. According to industry analyses, the global market for pharmaceutical intermediates is projected to expand at a CAGR of 6.2% from 2023 to 2030. This growth reflects the increasing demand for specialty chemicals in drug discovery programs worldwide.

Recent patent literature reveals innovative applications of 5-methoxy-2-sulfanylpyrimidin-4-ol derivatives in areas ranging from kinase inhibitors to fluorescent probes. These developments address current research trends in targeted therapies and diagnostic tools. The compound's versatility continues to make it a subject of active investigation, with new publications appearing regularly in synthetic and medicinal chemistry journals.

For researchers working with 5-methoxy-2-sulfanylpyrimidin-4-ol, safety considerations include standard laboratory precautions. While not classified as highly hazardous, proper personal protective equipment (PPE) should be used when handling the compound. Material Safety Data Sheets (MSDS) provide essential information that many laboratory professionals search for when working with new chemicals.

The future of 5-methoxy-2-sulfanylpyrimidin-4-ol research appears promising, with potential applications emerging in bioconjugation chemistry and prodrug design. As drug discovery becomes increasingly sophisticated, the demand for specialized building blocks like this pyrimidine derivative is expected to rise. Its combination of reactive functional groups offers numerous possibilities for creating novel bioactive molecules.

In conclusion, 5-Methoxy-2-sulfanylpyrimidin-4-ol (CAS No. 6939-11-3) represents a valuable compound in modern chemical research. Its applications span pharmaceutical development, materials science, and beyond, making it a subject of ongoing interest in both academic and industrial settings. As synthetic methodologies advance and new biological targets are identified, this versatile pyrimidine derivative will likely continue to play an important role in scientific innovation.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:6939-11-3)5-methoxy-2-sulfanylpyrimidin-4-ol
A900740
Purity:99%
Quantity:25g
Price ($):237.0
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