Cas no 27623-06-9 (6-(4-Methoxyphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one)

6-(4-Methoxyphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one is a heterocyclic compound featuring a 1,2,4-triazine core with a thioxo group at the 3-position and a 4-methoxyphenyl substituent at the 6-position. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The presence of both sulfur and nitrogen atoms enhances its potential as a ligand or building block for metal coordination complexes. Its crystalline form ensures stability and ease of handling, while the methoxy group offers opportunities for further functionalization. Suitable for research applications, this compound demonstrates consistent purity and reliable performance in synthetic workflows.
6-(4-Methoxyphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one structure
27623-06-9 structure
Product Name:6-(4-Methoxyphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one
CAS No:27623-06-9
MF:C10H9N3O2S
MW:235.262360334396
MDL:MFCD07688000
CID:279200
PubChem ID:7063885
Update Time:2025-11-02

6-(4-Methoxyphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one Chemical and Physical Properties

Names and Identifiers

    • 1,2,4-Triazin-5(2H)-one,3,4-dihydro-6-(4-methoxyphenyl)-3-thioxo-
    • 6-(4-METHOXYPHENYL)-3-THIOXO-3,4-DIHYDRO-1,2,4-TRIAZIN-5(2H)-ONE
    • 3,4-dihydro-6-(4-methoxyphenyl)-3-thioxo-1,2,4-triazin-5(2H)-one
    • 6-(4-methoxy-phenyl)-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one
    • AC1OEVL8
    • AC1Q4ATH
    • CTK4F9979
    • HMS1781M02
    • 27623-06-9
    • NS-03160
    • Z131021968
    • AKOS009047443
    • SB73549
    • SCHEMBL4352792
    • AKOS015948242
    • DTXSID50427687
    • 1,2,4-Triazin-5(2H)-one, 3,4-dihydro-6-(4-methoxyphenyl)-3-thioxo-
    • METHYL2-{[(2E)-2-(HYDROXYIMINO)ETHANOYL]AMINO}BENZOATE
    • VJMUFAGEOUHHMR-UHFFFAOYSA-N
    • BP-11123
    • 6-(4-methoxyphenyl)-3-sulfanyl-4,5-dihydro-1,2,4-triazin-5-one
    • CBA62306
    • 6-(4-methoxyphenyl)-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one
    • MFCD11558875
    • MFCD07688000
    • EN300-15319
    • 6-(4-methoxyphenyl)-3-sulfanylidene-2H-1,2,4-triazin-5-one
    • 6-(4-Methoxyphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one
    • MDL: MFCD07688000
    • Inchi: 1S/C10H9N3O2S/c1-15-7-4-2-6(3-5-7)8-9(14)11-10(16)13-12-8/h2-5H,1H3,(H2,11,13,14,16)
    • InChI Key: VJMUFAGEOUHHMR-UHFFFAOYSA-N
    • SMILES: S=C1NN=C(C(N1)=O)C1C=CC(=CC=1)OC

Computed Properties

  • Exact Mass: 235.04167
  • Monoisotopic Mass: 235.042
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 335
  • 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: 94.8A^2
  • XLogP3: 1.3

Experimental Properties

  • Density: 1.44
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.69
  • PSA: 62.72

6-(4-Methoxyphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one Pricemore >>

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Additional information on 6-(4-Methoxyphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one

Comprehensive Guide to 6-(4-Methoxyphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one (CAS No. 27623-06-9): Properties, Applications, and Market Insights

6-(4-Methoxyphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one (CAS No. 27623-06-9) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This compound, belonging to the 1,2,4-triazin-5(2H)-one family, exhibits unique chemical properties that make it valuable for various applications. Researchers and industry professionals are increasingly interested in this molecule due to its potential in drug development and crop protection solutions.

The molecular structure of 6-(4-Methoxyphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one features a methoxyphenyl group attached to a triazinone core with a thioxo functional group. This combination creates a versatile scaffold that can interact with biological targets in specific ways. Current trends in medicinal chemistry emphasize the importance of such heterocyclic compounds, particularly those containing sulfur and nitrogen atoms, as they often demonstrate enhanced bioavailability and target specificity.

In pharmaceutical applications, 6-(4-Methoxyphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one has shown promise as a building block for potential therapeutic agents. The compound's structure suggests possible activity against various enzyme systems, making it a candidate for further investigation in drug discovery programs. Recent studies have explored its derivatives for potential use in managing metabolic disorders, aligning with the growing global focus on diabetes and obesity treatments.

The agrochemical industry has also shown interest in 6-(4-Methoxyphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one derivatives. The triazinone moiety is known to exhibit herbicidal activity, and researchers are investigating whether modifications to this core structure could lead to more effective and environmentally friendly crop protection solutions. This aligns with current agricultural trends emphasizing sustainable pest management and reduced environmental impact.

From a synthetic chemistry perspective, the preparation of 6-(4-Methoxyphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one typically involves multi-step organic synthesis starting from readily available precursors. The process often includes condensation reactions and cyclization steps to form the triazinone ring system. Recent advancements in green chemistry have prompted researchers to explore more sustainable synthetic routes for such compounds, reducing solvent waste and energy consumption.

The physical and chemical properties of 6-(4-Methoxyphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one make it suitable for various formulation approaches. Its moderate solubility in organic solvents and specific melting point range (typically between 180-200°C) are important considerations for product development. These characteristics are particularly relevant for pharmaceutical scientists working on drug formulation strategies.

Market analysis indicates growing demand for specialized heterocyclic compounds like 6-(4-Methoxyphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one. The global market for fine chemicals used in drug discovery is projected to expand significantly in the coming years, driven by increased R&D spending in the pharmaceutical sector. Additionally, the push for novel agrochemicals with improved safety profiles creates opportunities for innovative compounds in this chemical class.

Quality control and analytical characterization of 6-(4-Methoxyphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one typically involve techniques such as HPLC, NMR spectroscopy, and mass spectrometry. These methods ensure batch-to-batch consistency and verify the compound's purity, which is crucial for research and potential commercial applications. Recent advancements in analytical technologies have improved the precision of these measurements, benefiting both manufacturers and end-users.

Storage and handling recommendations for 6-(4-Methoxyphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one follow standard laboratory practices for organic compounds. The material should be kept in a cool, dry environment, protected from light and moisture. While not classified as hazardous under normal conditions, proper personal protective equipment should be used when handling the compound, in line with general laboratory safety protocols.

Future research directions for 6-(4-Methoxyphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one may include exploring its biological activity spectrum, optimizing synthetic routes for scale-up production, and investigating novel derivatives with enhanced properties. The compound's structural features make it an attractive starting point for medicinal chemistry programs targeting various disease areas, particularly those involving enzyme modulation.

In conclusion, 6-(4-Methoxyphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one (CAS No. 27623-06-9) represents an interesting chemical entity with potential applications across multiple industries. Its unique combination of a methoxyphenyl group and triazinone core offers opportunities for innovation in drug discovery and agrochemical development. As research continues to uncover new applications for this compound, its importance in specialized chemical markets is likely to grow.

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