Cas no 419540-44-6 (1,5-Dimethyl-2-(methylthio)-1H-benzo[d]imidazole)

1,5-Dimethyl-2-(methylthio)-1H-benzo[d]imidazole is a substituted benzimidazole derivative with potential applications in pharmaceutical and agrochemical research. Its structure features a thioether group at the 2-position and methyl substituents at the 1- and 5-positions, enhancing its stability and reactivity profile. This compound serves as a versatile intermediate in the synthesis of biologically active molecules, particularly in the development of enzyme inhibitors and antimicrobial agents. Its well-defined molecular framework allows for precise modifications, making it valuable for structure-activity relationship studies. The compound exhibits good solubility in organic solvents, facilitating its use in synthetic workflows. Its purity and consistent performance make it a reliable choice for research and industrial applications.
1,5-Dimethyl-2-(methylthio)-1H-benzo[d]imidazole structure
419540-44-6 structure
Product Name:1,5-Dimethyl-2-(methylthio)-1H-benzo[d]imidazole
CAS No:419540-44-6
MF:C10H12N2S
MW:192.280680656433
CID:326619
PubChem ID:867619
Update Time:2025-10-29

1,5-Dimethyl-2-(methylthio)-1H-benzo[d]imidazole Chemical and Physical Properties

Names and Identifiers

    • 1,5-Dimethyl-2-(methylthio)-1H-benzo[d]imidazole
    • 1,5-dimethyl-2-methylsulfanylbenzimidazole
    • 1H-Benzimidazole,1,5-dimethyl-2-(methylthio)-
    • Cambridge id 5661001
    • 1,5-dimethyl-2-(methylsulfanyl)-1H-1,3-benzodiazole
    • 419540-44-6
    • AKOS022178365
    • 1,5-DIMETHYL-2-(METHYLSULFANYL)-1,3-BENZODIAZOLE
    • 1,5-dimethyl-2-(methylsulfanyl)-1H-benzimidazole
    • STL417130
    • AE-848/08581015
    • Inchi: 1S/C10H12N2S/c1-7-4-5-9-8(6-7)11-10(13-3)12(9)2/h4-6H,1-3H3
    • InChI Key: IRGIZPUPSWFOCF-UHFFFAOYSA-N
    • SMILES: S(C)C1=NC2C=C(C)C=CC=2N1C

Computed Properties

  • Exact Mass: 192.07211956g/mol
  • Monoisotopic Mass: 192.07211956g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 186
  • 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: 2.7
  • Topological Polar Surface Area: 43.1?2

1,5-Dimethyl-2-(methylthio)-1H-benzo[d]imidazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
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419540-44-6 95%
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Chemenu
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Additional information on 1,5-Dimethyl-2-(methylthio)-1H-benzo[d]imidazole

Comprehensive Overview of 1,5-Dimethyl-2-(methylthio)-1H-benzo[d]imidazole (CAS No. 419540-44-6)

1,5-Dimethyl-2-(methylthio)-1H-benzo[d]imidazole (CAS No. 419540-44-6) is a specialized organic compound belonging to the benzimidazole family. This heterocyclic molecule features a methylthio group at the 2-position and methyl substitutions at the 1- and 5-positions, which contribute to its unique chemical properties and applications. The compound has garnered attention in pharmaceutical and agrochemical research due to its structural versatility and potential bioactivity.

In recent years, the demand for benzimidazole derivatives has surged, driven by their relevance in drug discovery and material science. Researchers frequently search for terms like "1,5-Dimethyl-2-(methylthio)-1H-benzo[d]imidazole synthesis" or "CAS 419540-44-6 applications," reflecting the compound's growing importance. Its molecular framework is often explored for antimicrobial, anti-inflammatory, and anticancer properties, aligning with current trends in precision medicine and targeted therapies.

The compound's methylthio moiety enhances its reactivity, making it a valuable intermediate in organic synthesis. Laboratories and industries prioritize high-purity 1,5-Dimethyl-2-(methylthio)-1H-benzo[d]imidazole for reproducible results, as impurities can significantly impact downstream applications. Analytical techniques such as HPLC and NMR are commonly employed to verify its purity and structural integrity.

Environmental and regulatory considerations are also critical when handling 419540-44-6. While the compound is not classified as hazardous, proper storage under inert conditions (e.g., nitrogen atmosphere) is recommended to prevent degradation. Sustainability-focused queries like "green synthesis of benzimidazole derivatives" highlight the industry's shift toward eco-friendly methodologies, including catalytic processes and solvent-free reactions.

From a commercial perspective, 1,5-Dimethyl-2-(methylthio)-1H-benzo[d]imidazole is supplied by specialized chemical manufacturers catering to R&D and bulk procurement needs. Pricing trends and "CAS 419540-44-6 suppliers" are frequently searched, underscoring the need for transparent supply chains and competitive sourcing. The compound's patent landscape is another area of interest, with innovations focusing on its derivatives for niche applications.

In summary, 1,5-Dimethyl-2-(methylthio)-1H-benzo[d]imidazole (CAS No. 419540-44-6) represents a pivotal building block in modern chemistry. Its adaptability across pharmaceuticals, agrochemicals, and materials science ensures its continued relevance. As research advances, keywords like "benzimidazole scaffold optimization" and "419540-44-6 mechanism of action" will likely dominate scientific discourse, further solidifying its role in innovation.

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