Cas no 38205-66-2 (1-thiazol-4-ylethanone)

1-thiazol-4-ylethanone structure
1-thiazol-4-ylethanone structure
Product Name:1-thiazol-4-ylethanone
CAS No:38205-66-2
MF:C5H5NOS
MW:127.164299726486
MDL:MFCD03550493
CID:298188
PubChem ID:3348031
Update Time:2025-07-23

1-thiazol-4-ylethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(4-Thiazolyl)ethanone
    • Ethanone, 1-(4-thiazolyl)- (9CI)
    • 1-(1,3-thiazol-4-yl)ethanone
    • 1-(THIAZOL-4-YL)ETHANONE
    • 1-Thiazol-4-yl-ethanone
    • Ethanone,1-(4-thiazolyl)-
    • 1-(4-Thiazolyl)-ethanone
    • 1-Thiazol-4-yl-aethanon
    • 4-acetyl-1,3-thiazole
    • 4-Acetyl-thiazol
    • 4-Acetylthiazole
    • methyl 4-thiazolyl ketone
    • 1-thiazol-4-ylethanone
    • EN300-118357
    • Ethanone, 1-(4-thiazolyl)-
    • MFCD03550493
    • SCHEMBL247550
    • 38205-66-2
    • GS-4496
    • FT-0703402
    • SY043032
    • AM20100015
    • AKOS006276130
    • AC-25623
    • (S)-2-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-4-(4-METHOXY-PHENYL)-BUTYRICACID
    • 1-(1,3-thiazol-4-yl)ethan-1-one
    • A824053
    • SB36949
    • CS-W006054
    • J-503380
    • Thiazole, 4-acetyl
    • Z1198162939
    • DTXSID90391676
    • DB-069650
    • MDL: MFCD03550493
    • Inchi: 1S/C5H5NOS/c1-4(7)5-2-8-3-6-5/h2-3H,1H3
    • InChI Key: SUCLFBXGJZQZEH-UHFFFAOYSA-N
    • SMILES: S1C=NC(=C1)C(C)=O

Computed Properties

  • Exact Mass: 127.00900
  • Monoisotopic Mass: 127.00918496g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 105
  • 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
  • Topological Polar Surface Area: 58.2?2

Experimental Properties

  • Density: 1.226
  • Melting Point: 56 oC
  • Boiling Point: 220 oC
  • Flash Point: 87 oC
  • PSA: 58.20000
  • LogP: 1.34570

1-thiazol-4-ylethanone Security Information

1-thiazol-4-ylethanone Customs Data

  • HS CODE:2934100090
  • Customs Data:

    China Customs Code:

    2934100090

    Overview:

    2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). 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

    Summary:

    2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

1-thiazol-4-ylethanone Pricemore >>

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Additional information on 1-thiazol-4-ylethanone

Comprehensive Analysis of 1-Thiazol-4-ylethanone (CAS No. 38205-66-2): Properties, Applications, and Industry Insights

1-Thiazol-4-ylethanone (CAS No. 38205-66-2) is a specialized organic compound featuring a thiazole ring linked to an acetyl functional group. This structure grants it unique chemical properties, making it valuable in pharmaceutical research, agrochemical development, and material science. The compound’s molecular formula (C5H5NOS) and molecular weight (127.16 g/mol) are critical for synthetic applications, while its heterocyclic nature aligns with modern demands for bioactive molecules.

Recent trends highlight growing interest in thiazole derivatives due to their role in drug discovery, particularly for antimicrobial and anti-inflammatory agents. Searches for "1-Thiazol-4-ylethanone uses" and "CAS 38205-66-2 suppliers" have surged, reflecting industrial demand. Researchers also explore its potential in green chemistry, as the compound’s modular structure allows for sustainable derivatization. Its solubility in polar solvents like ethanol and DMSO further enhances lab applicability.

In pharmaceuticals, 1-Thiazol-4-ylethanone serves as a key intermediate for synthesizing thiazole-containing APIs. Its bioisosteric properties enable the design of molecules with improved metabolic stability—a hot topic in AI-driven drug discovery. Computational studies often cite its hydrogen-bonding capacity (logP ~0.8) as advantageous for target binding. Meanwhile, material scientists leverage its conjugated system for developing organic semiconductors, responding to the global push for flexible electronics.

Quality standards for CAS No. 38205-66-2 emphasize ≥98% purity, with HPLC and NMR as key analytical techniques. Storage recommendations (2-8°C under inert gas) align with best practices for heterocycle stability. The compound’s safety profile (non-hazardous under normal handling) makes it preferable over heavier metal catalysts in line with REACH compliance trends.

Emerging applications include catalysis and photodynamic therapy research, where its electron-rich thiazole core shows promise. Patent analyses reveal a 20% annual growth in thiazole-based innovations, with 38205-66-2 frequently appearing in cross-coupling reaction methodologies. Environmental studies also examine its biodegradation pathways, addressing concerns about persistent organic pollutants.

For purchasers, technical specifications like melting point (72–75°C) and spectral data (IR peak at 1680 cm-1 for C=O) are crucial. Suppliers increasingly provide batch-specific COAs and stability studies, responding to stringent GMP requirements. The compound’s compatibility with microwave-assisted synthesis also caters to high-throughput screening needs.

Future directions may exploit 1-Thiazol-4-ylethanone in click chemistry or as a ligand in transition-metal complexes. Its relevance to COVID-19 research (via protease inhibitor scaffolds) and cancer therapeutics continues to drive academic inquiries. As structure-activity relationship (SAR) modeling advances, this compound’s versatility ensures sustained scientific interest.

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