Cas no 351065-79-7 (2,5-Dimethoxythiobenzamide)

2,5-Dimethoxythiobenzamide structure
2,5-Dimethoxythiobenzamide structure
Product Name:2,5-Dimethoxythiobenzamide
CAS No:351065-79-7
MF:C9H11NO2S
MW:197.2541410923
MDL:MFCD02152969
CID:303908
PubChem ID:2758489
Update Time:2025-11-01

2,5-Dimethoxythiobenzamide Chemical and Physical Properties

Names and Identifiers

    • Benzenecarbothioamide,2,5-dimethoxy-
    • 2,5-dimethoxybenzenecarbothioamide
    • 2,5-DIMETHOXY-THIOBENZAMIDE
    • 2,4-DIMETHOXYPHENYLISOCYANIDE
    • 2,5-dimethoxybenzene-1-carbothioamide
    • 2,5-Dimethoxythiobenzamide
    • Benzenecarbothioamide,2,5-dimethoxy
    • A822568
    • FT-0644485
    • AKOS002669721
    • EN300-1851780
    • AS-44309
    • 2,5-dimethoxy-thiobenzamide, AldrichCPR
    • 351065-79-7
    • 2,5-Dimethoxybenzothioamide
    • DTXSID90374348
    • CS-0302588
    • SCHEMBL6897265
    • MFCD02152969
    • MDL: MFCD02152969
    • Inchi: 1S/C9H11NO2S/c1-11-6-3-4-8(12-2)7(5-6)9(10)13/h3-5H,1-2H3,(H2,10,13)
    • InChI Key: XQBSOMICYVLAMS-UHFFFAOYSA-N
    • SMILES: S=C(C1C=C(C=CC=1OC)OC)N

Computed Properties

  • Exact Mass: 197.05100
  • Monoisotopic Mass: 197.05104977g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 187
  • 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: 1.3
  • Topological Polar Surface Area: 76.6?2

Experimental Properties

  • PSA: 76.57000
  • LogP: 2.03830

2,5-Dimethoxythiobenzamide Security Information

2,5-Dimethoxythiobenzamide 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%

2,5-Dimethoxythiobenzamide Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D482488-50mg
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$ 50.00 2022-06-05
TRC
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$ 70.00 2022-06-05
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eNovation Chemicals LLC
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abcr
AB154001-1 g
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€104.60 2022-09-01
abcr
AB154001-2 g
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2g
€136.60 2022-09-01
abcr
AB154001-5 g
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5g
€215.20 2022-09-01

Additional information on 2,5-Dimethoxythiobenzamide

Comprehensive Guide to 2,5-Dimethoxythiobenzamide (CAS No. 351065-79-7): Properties, Applications, and Research Insights

2,5-Dimethoxythiobenzamide (CAS No. 351065-79-7) is a specialized organic compound gaining attention in pharmaceutical and chemical research due to its unique structural features and potential applications. This thiobenzamide derivative is characterized by the presence of two methoxy groups at the 2 and 5 positions of the benzene ring, along with a thioamide functional group. Researchers are increasingly exploring its role as a building block in organic synthesis and its interactions in biochemical pathways.

The compound's molecular formula, C9H11NO2S, reflects its moderate polarity, making it soluble in common organic solvents like dimethyl sulfoxide (DMSO) and ethanol. Its melting point and stability under various conditions have been documented in recent studies, particularly in the context of heterocyclic compound synthesis. These properties align with growing interest in sustainable chemistry, as scientists seek alternatives to traditional reagents with lower environmental impact.

Recent literature highlights the compound's utility in medicinal chemistry research, where its scaffold serves as a precursor for bioactive molecule development. The methoxy groups contribute to electron-rich aromatic systems, while the thioamide moiety offers unique hydrogen-bonding capabilities. This combination has sparked investigations into its potential structure-activity relationships in various biological systems, though such applications remain strictly in the research domain.

Analytical techniques for 2,5-Dimethoxythiobenzamide characterization typically include high-performance liquid chromatography (HPLC), nuclear magnetic resonance (NMR) spectroscopy, and mass spectrometry. These methods confirm the compound's purity and structural integrity, which is crucial for research applications. The growing demand for high-purity chemical standards in academic and industrial laboratories has increased focus on reliable synthesis and purification protocols for this compound.

From a safety perspective, standard laboratory precautions apply when handling 2,5-Dimethoxythiobenzamide, including the use of personal protective equipment (PPE) and proper ventilation. While not classified as hazardous under normal research conditions, its material safety data sheet (MSDS) should always be consulted prior to use. This aligns with current trends in laboratory safety culture and responsible research practices.

The synthesis of 2,5-Dimethoxythiobenzamide typically involves multi-step organic reactions starting from commercially available precursors. Recent publications have explored green chemistry approaches to its production, reflecting the broader shift toward environmentally friendly synthesis methods. These developments respond to increasing interest in sustainable chemical processes across the research community.

In the context of drug discovery, the compound's structural features have drawn comparisons to various pharmacologically active scaffolds. However, it's important to note that current research focuses exclusively on its chemical properties and synthetic utility rather than any specific therapeutic applications. The scientific community continues to investigate its potential as a molecular probe in biochemical studies.

Storage recommendations for 2,5-Dimethoxythiobenzamide emphasize protection from moisture and light, typically suggesting ambient or refrigerated conditions in tightly sealed containers. These protocols mirror best practices for chemical storage management in modern research facilities. The compound's shelf life and stability indicators have become topics of interest as researchers seek to optimize chemical inventory management.

Emerging research directions include exploring the compound's behavior in various catalytic systems and its potential as a ligand in coordination chemistry. These investigations contribute to broader understanding of structure-property relationships in organic chemistry. The compound's electronic properties and reactivity patterns continue to be subjects of theoretical and experimental studies.

Quality control measures for 2,5-Dimethoxythiobenzamide have evolved with advancements in analytical chemistry techniques. Current protocols often incorporate spectroscopic purity verification and chromatographic analysis, reflecting the pharmaceutical industry's increasing emphasis on compound characterization standards. These developments address growing concerns about research reproducibility in chemical sciences.

The compound's role in methodology development for organic synthesis has been noted in several recent publications. Its structural features make it a valuable subject for studying regioselective reactions and functional group transformations. These academic investigations contribute to the ongoing expansion of synthetic organic chemistry toolsets.

From a commercial perspective, 2,5-Dimethoxythiobenzamide is available through specialized chemical suppliers catering to research institutions. The compound's pricing trends and availability metrics reflect its status as a research-grade chemical rather than an industrial commodity. This market position aligns with current patterns in specialty chemicals distribution.

Future research directions may explore the compound's potential in materials science applications, particularly in the development of organic electronic materials. The conjugated system present in its structure suggests possible investigations into charge transport properties, though such applications remain speculative at this stage. These possibilities reflect the interdisciplinary nature of modern chemical research.

Documentation practices for 2,5-Dimethoxythiobenzamide research emphasize thorough experimental reporting and data transparency, in line with current scientific publishing standards. Researchers are encouraged to provide detailed synthetic procedures and analytical data when reporting work with this compound, contributing to the collective advancement of chemical knowledge.

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