Cas no 103646-25-9 (Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate)

Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate is a heterocyclic organic compound featuring a benzothiazole core with a methyl substituent at the 2-position and an ethyl carboxylate group at the 6-position. This structure imparts versatility in synthetic applications, particularly as an intermediate in pharmaceuticals, agrochemicals, and material science. The ethyl ester moiety enhances solubility in organic solvents, facilitating further functionalization. Its benzothiazole scaffold is known for contributing to biological activity, making it valuable in medicinal chemistry research. The compound exhibits stability under standard conditions, ensuring reliable handling and storage. Its well-defined reactivity profile allows for precise modifications, supporting its use in targeted synthesis.
Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate structure
103646-25-9 structure
Product Name:Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate
CAS No:103646-25-9
MF:C11H11NO2S
MW:221.275541543961
MDL:MFCD00226438
CID:134557
PubChem ID:640775
Update Time:2025-11-01

Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate
    • 6-Benzothiazolecarboxylicacid, 2-methyl-, ethyl ester
    • 2-Methyl-benzo<1,3>thiazol-6-carbonsaeureaethylester
    • 2-Methyl-benzothiazol-6-carbonsaeure-aethylester
    • 2-methyl-benzothiazole-6-carboxylic acid ethyl ester
    • 6-ethoxycarbonyl-2-methylbenzothiazole
    • ethyl 2-methylbenzo[d]thiazole-6-carboxylate
    • ethylmethylbenzothiazolecarboxylate
    • 6-Benzothiazolecarboxylicacid,2-methyl-,ethylester(6CI,9CI)
    • 103646-25-9
    • Z56756344
    • AKOS005072166
    • DTXSID70348805
    • 6-Benzothiazolecarboxylicacid,2-methyl-,ethyl ester
    • CS-0321480
    • DA-0920
    • InChI=1/C11H11NO2S/c1-3-14-11(13)8-4-5-9-10(6-8)15-7(2)12-9/h4-6H,3H2,1-2H
    • J-520775
    • 6-benzothiazolecarboxylic acid, 2-methyl-, ethyl ester
    • ETHYL2-METHYL-1,3-BENZOTHIAZOLE-6-CARBOXYLATE
    • SCHEMBL4667327
    • XLUVVPRHNXGQJG-UHFFFAOYSA-N
    • MFCD00226438
    • FT-0680919
    • DB-360382
    • MDL: MFCD00226438
    • Inchi: 1S/C11H11NO2S/c1-3-14-11(13)8-4-5-9-10(6-8)15-7(2)12-9/h4-6H,3H2,1-2H3
    • InChI Key: XLUVVPRHNXGQJG-UHFFFAOYSA-N
    • SMILES: S1C(C)=NC2C=CC(C(=O)OCC)=CC1=2

Computed Properties

  • Exact Mass: 221.05100
  • Monoisotopic Mass: 221.05104977g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 247
  • 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: 3
  • Topological Polar Surface Area: 67.4?2

Experimental Properties

  • Density: 1.25
  • Melting Point: 67-69
  • Boiling Point: 332.5 °C at 760 mmHg
  • Flash Point: 154.9 °C
  • Refractive Index: 1.615
  • PSA: 67.43000
  • LogP: 2.78140

Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate Customs Data

  • HS CODE:2934200090
  • Customs Data:

    China Customs Code:

    2934200090

    Overview:

    2934200090. Other compounds containing a benzothiazole ring. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934200090. other compounds containing in the structure a benzothiazole ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:103646-25-9)Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate
Order Number:A1100626
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 20:29
Price ($):223.0

Additional information on Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate

Comprehensive Overview of Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate (CAS No. 103646-25-9)

Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate (CAS No. 103646-25-9) is a specialized organic compound belonging to the benzothiazole family, a class of heterocyclic compounds widely recognized for their diverse applications in pharmaceuticals, agrochemicals, and material science. This ester derivative, characterized by its ethyl carboxylate and methyl-substituted benzothiazole structure, has garnered significant attention due to its unique chemical properties and potential utility in synthetic chemistry and industrial applications.

The compound’s molecular framework combines a benzothiazole core with an ester functional group, making it a versatile intermediate in organic synthesis. Researchers and industries frequently explore its role in the development of fluorescent dyes, bioactive molecules, and advanced materials. Its CAS No. 103646-25-9 serves as a critical identifier in chemical databases, ensuring precise referencing in academic and industrial contexts.

In recent years, the demand for benzothiazole derivatives has surged, driven by their relevance in drug discovery and material innovation. For instance, Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate has been investigated for its potential as a building block in pharmaceutical intermediates, particularly in the synthesis of compounds with antimicrobial or anti-inflammatory properties. This aligns with the growing focus on green chemistry and sustainable synthesis, as researchers seek eco-friendly pathways to optimize its production.

From a technical perspective, the compound’s solubility in organic solvents like ethanol, dichloromethane, and dimethyl sulfoxide (DMSO) enhances its practicality in laboratory settings. Its melting point and stability under standard conditions further contribute to its appeal for industrial-scale applications. Analytical techniques such as HPLC, NMR spectroscopy, and mass spectrometry are commonly employed to verify its purity and structural integrity.

The rise of AI-driven drug discovery and computational chemistry has also spotlighted compounds like Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate. Computational models predict its reactivity and compatibility with other molecules, accelerating its integration into high-throughput screening workflows. This trend reflects broader industry shifts toward data-driven research and automated synthesis, where such compounds play pivotal roles.

Environmental and regulatory considerations are equally critical. While Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate is not classified as hazardous under current guidelines, its handling requires adherence to standard laboratory safety protocols. The compound’s biodegradability and ecotoxicological profile remain areas of active research, particularly as industries prioritize EPA-compliant and REACH-certified chemicals.

In summary, Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate (CAS No. 103646-25-9) exemplifies the intersection of structural versatility and functional utility in modern chemistry. Its applications span pharmaceuticals, materials science, and synthetic chemistry, making it a compound of enduring relevance. As scientific advancements continue to unfold, its role in innovative technologies and sustainable practices is poised to expand further.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:103646-25-9)Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate
A1100626
Purity:99%
Quantity:1g
Price ($):223.0
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