Cas no 20029-35-0 (sodium (3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanide)

sodium (3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanide structure
20029-35-0 structure
Product Name:sodium (3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanide
CAS No:20029-35-0
MF:C3H2N3NaO2S
MW:167.121649265289
CID:252617
PubChem ID:3844297
Update Time:2025-07-17

sodium (3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanide Chemical and Physical Properties

Names and Identifiers

    • 1,2,4-Triazine-3,5(2H,4H)-dione,dihydro-6-thioxo-, sodium salt (1:1)
    • SODIUM 3,5-DIOXO-2,3,4,5-TETRAHYDRO-[1,2,4]TRIAZINE-6-THIOLATE
    • sodium,3,5-dioxo-2H-1,2,4-triazine-6-thiolate
    • 5-Mercapto-6-azauracil sodium
    • 5-Mercapto-6-azauracil sodium salt
    • sodium (3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanide
    • JPRSVSYWNNTVKO-UHFFFAOYSA-M
    • 20029-35-0
    • SCHEMBL15799651
    • SB73449
    • sodium;3,5-dioxo-2H-1,2,4-triazine-6-thiolate
    • A814184
    • sodium;3, 5-dioxo-2H-1, 2, 4-triazine-6-thiolate
    • Sodium 3,5-dioxo-2H-1,2,4-triazine-6-thiolate
    • CS-0249472
    • AKOS015919395
    • Sodium 3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-thiolate
    • AKOS000122523
    • EN300-43609
    • DTXSID00397205
    • Sodium3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-thiolate
    • FT-0637937
    • DB-045064
    • Inchi: 1S/C3H3N3O2S.Na/c7-1-2(9)5-6-3(8)4-1;/h(H,5,9)(H2,4,6,7,8);/q;+1/p-1
    • InChI Key: JPRSVSYWNNTVKO-UHFFFAOYSA-M
    • SMILES: [S-]C1C(NC(NN=1)=O)=O.[Na+]

Computed Properties

  • Exact Mass: 168.99200
  • Monoisotopic Mass: 167.984
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 190
  • 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: 102A^2

Experimental Properties

  • Density: Not available
  • Melting Point: 325-327 °C
  • Boiling Point: Not available
  • Flash Point: Not available
  • PSA: 95.53000
  • LogP: -0.15960
  • Vapor Pressure: Not available

sodium (3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanide Security Information

sodium (3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanide Customs Data

  • HS CODE:2933699090
  • Customs Data:

    China Customs Code:

    2933699090

    Overview:

    2933699090 Other structurally non fused triazine ring containing compounds. VAT:17.0% Tax refund rate:9.0% 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:

    2933699090 other compounds containing an unfused triazine ring (whether or not hydrogenated) in the structure.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:20.0%

sodium (3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanide Pricemore >>

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sodium (3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanide Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:20029-35-0)sodium (3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanide
Order Number:A814184
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:07
Price ($):238.0

Additional information on sodium (3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanide

Comprehensive Overview of Sodium (3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanide (CAS No. 20029-35-0)

Sodium (3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanide, identified by its CAS No. 20029-35-0, is a specialized chemical compound with significant applications in organic synthesis and pharmaceutical research. This compound belongs to the class of heterocyclic sulfanides, characterized by its unique triazine backbone. Its molecular structure, featuring a sulfanide group attached to a triazinone ring, makes it a valuable intermediate in the synthesis of bioactive molecules. Researchers and industries are increasingly interested in this compound due to its potential in developing novel therapeutic agents and agrochemicals.

The growing demand for sodium (3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanide is driven by its versatility in chemical reactions. Its CAS No. 20029-35-0 is frequently searched in academic and industrial databases, reflecting its relevance in modern chemistry. Recent studies highlight its role in cross-coupling reactions, where it acts as a sulfur donor, enabling the construction of complex molecular architectures. This property aligns with the current trend toward sustainable and efficient synthetic methodologies, a hot topic in green chemistry discussions.

One of the most frequently asked questions about CAS No. 20029-35-0 revolves around its stability and handling. While the compound is stable under standard laboratory conditions, proper storage in a cool, dry environment is recommended to maintain its integrity. Its solubility in polar solvents like water and dimethyl sulfoxide (DMSO) makes it convenient for various experimental setups. These characteristics are particularly appealing to researchers exploring its applications in drug discovery and material science.

In the context of AI-driven drug discovery, sodium (3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanide has garnered attention as a building block for machine learning-based molecular design. Computational chemists often query its CAS No. 20029-35-0 to access structural data for virtual screening and predictive modeling. This intersection of traditional chemistry and cutting-edge technology underscores the compound's relevance in contemporary scientific advancements.

Another area of interest is the compound's potential in agrochemical innovation. With the global push toward sustainable farming practices, researchers are investigating CAS No. 20029-35-0 as a precursor for eco-friendly pesticides and herbicides. Its triazine core is known for herbicidal activity, and modifications to its sulfanide group could yield compounds with enhanced efficacy and reduced environmental impact. This aligns with the increasing consumer demand for greener agricultural solutions.

From a commercial perspective, suppliers of sodium (3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanide emphasize its high purity and consistent quality, which are critical for reproducible research outcomes. The compound's CAS No. 20029-35-0 is often listed in catalogs alongside analytical data, such as NMR and HPLC profiles, to assure researchers of its suitability for sensitive applications. This transparency is vital in an era where data integrity and reproducibility are paramount in scientific endeavors.

In summary, sodium (3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanide (CAS No. 20029-35-0) is a multifaceted compound with broad utility in chemistry and beyond. Its role in drug discovery, agrochemical development, and computational modeling positions it as a compound of enduring interest. As scientific inquiry continues to evolve, this sulfanide derivative is likely to remain a focal point for innovation and exploration.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:20029-35-0)sodium (3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanide
A814184
Purity:99%
Quantity:1g
Price ($):238.0
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