Cas no 26163-11-1 (2,6-DIMETHOXYBENZENETHIOL)

2,6-Dimethoxybenzenethiol is a sulfur-containing aromatic compound characterized by its two methoxy substituents at the 2- and 6-positions of the benzene ring. This structural configuration imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly in the preparation of heterocyclic compounds and ligand systems. Its electron-rich aromatic ring enhances nucleophilic properties, facilitating thiol-based coupling reactions. The compound's stability under controlled conditions and its compatibility with various reaction media further contribute to its utility in pharmaceutical and agrochemical research. Careful handling is recommended due to its potential sensitivity to oxidation and strong odors typical of thiol derivatives.
2,6-DIMETHOXYBENZENETHIOL structure
2,6-DIMETHOXYBENZENETHIOL structure
Product Name:2,6-DIMETHOXYBENZENETHIOL
CAS No:26163-11-1
MF:C8H10O2S
MW:170.228801250458
CID:914330
PubChem ID:11028581
Update Time:2025-10-21

2,6-DIMETHOXYBENZENETHIOL Chemical and Physical Properties

Names and Identifiers

    • 2,6-DIMETHOXYBENZENETHIOL
    • 2,6-dimethoxybenzene-1-thiol
    • 2,6-dimethoxythiophenol
    • Benzenethiol,2,6-dimethoxy
    • DTXSID10452399
    • CS-0309313
    • Benzenethiol, 2,6-dimethoxy-
    • BBA16311
    • 26163-11-1
    • AKOS006290618
    • EN300-173521
    • A937218
    • AT20891
    • Z1198177412
    • SCHEMBL1402629
    • MDL: MFCD08437611
    • Inchi: 1S/C8H10O2S/c1-9-6-4-3-5-7(10-2)8(6)11/h3-5,11H,1-2H3
    • InChI Key: XFYHALUXZFWGQO-UHFFFAOYSA-N
    • SMILES: SC1C(=CC=CC=1OC)OC

Computed Properties

  • Exact Mass: 170.04000
  • Monoisotopic Mass: 170.04015073g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 107
  • 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: 1.7
  • Topological Polar Surface Area: 19.5?2

Experimental Properties

  • PSA: 57.26000
  • LogP: 1.99250

2,6-DIMETHOXYBENZENETHIOL Customs Data

  • HS CODE:2930909090
  • Customs Data:

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

2,6-DIMETHOXYBENZENETHIOL Pricemore >>

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$173.00 2023-05-18
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Additional information on 2,6-DIMETHOXYBENZENETHIOL

Comprehensive Guide to 2,6-DIMETHYLOXYBENZENETHIOL (CAS No. 26163-11-1): Properties, Applications, and Industry Insights

2,6-DIMETHOXYBENZENETHIOL (CAS No. 26163-11-1) is a specialized organic compound gaining attention in pharmaceutical and agrochemical research due to its unique thiol-functionalized aromatic structure. This sulfur-containing derivative of dimethoxybenzene exhibits remarkable reactivity, making it valuable for cross-coupling reactions and ligand synthesis. Recent studies highlight its potential in developing bioactive molecules, aligning with the growing demand for sustainable chemical building blocks in green chemistry initiatives.

The compound's electron-rich aromatic system paired with the nucleophilic thiol group enables diverse transformations, particularly in metal-catalyzed reactions – a hot topic in catalytic process optimization searches. Researchers frequently investigate its role in creating chiral auxiliaries for asymmetric synthesis, addressing the pharmaceutical industry's need for enantioselective methodologies. Analytical data reveals its stability under inert atmospheres, though proper oxygen-sensitive material handling protocols remain essential, a common concern in air-free synthesis techniques discussions.

Industrial applications of 2,6-DIMETHOXYBENZENETHIOL extend to flavor and fragrance intermediates, where its methoxy-thiophenol structure contributes to complex olfactory profiles. This connects with rising consumer interest in synthetic aroma chemicals versus natural extracts. The compound's UV-absorbing properties also spark innovation in photostabilizer additives – a trending search term in material science forums exploring polymer degradation prevention strategies.

From a regulatory perspective, proper laboratory safety measures for thiol-containing compounds remain crucial, reflecting frequent searches about chemical storage best practices. The substance's moderate volatility requires vapor pressure management during handling, a technical aspect often queried in process chemistry communities. Recent patent analyses show growing utilization in electronic materials, particularly for conjugated molecular systems in organic semiconductors – a cutting-edge application aligning with flexible electronics industry trends.

Environmental considerations position 2,6-DIMETHOXYBENZENETHIOL as a candidate for biodegradation studies of methoxylated aromatics, addressing the green chemistry metrics frequently discussed in sustainability circles. Analytical methods like HPLC quantification and GC-MS characterization provide reliable detection, responding to common queries about aromatic thiol analysis techniques. The compound's crystalline form at room temperature facilitates purification protocols, an operational advantage for process scale-up considerations.

Emerging research explores its derivatives as enzyme inhibitors, connecting to popular searches about targeted drug discovery. The ortho-dimethoxy configuration influences molecular docking behaviors, a subject of interest in computational chemistry discussions. Supply chain data indicates increasing availability through custom synthesis providers, reflecting the specialty chemicals market's growth. Proper waste stream management protocols ensure compliance with chemical disposal regulations – a critical operational aspect frequently searched by EHS professionals.

In material science applications, the compound's chelating ability enables development of metal-organic frameworks (MOFs), a trending topic in porous material research. Its ligand properties show promise in catalyst design for C-H activation reactions – a transformative methodology dominating synthetic chemistry publications. Thermal stability studies up to 150°C support its use in high-temperature processes, addressing common queries about heat-resistant intermediates.

The global market for functionalized benzenethiols shows steady growth, with 2,6-DIMETHOXYBENZENETHIOL occupying a niche in high-value fine chemicals. Recent advancements in continuous flow chemistry have improved its synthesis efficiency, responding to industry demands for process intensification. Quality control typically involves spectroscopic verification (FTIR, NMR) and chromatographic purity assessment – standard procedures frequently searched by QC chemists. The compound's structure-activity relationships continue to inspire innovation across multiple applied chemistry sectors.

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