Cas no 123418-42-8 (1-(4-Chloro-5-methylthiophen-2-yl)ethan-1-one)

1-(4-Chloro-5-methylthiophen-2-yl)ethan-1-one structure
123418-42-8 structure
Product Name:1-(4-Chloro-5-methylthiophen-2-yl)ethan-1-one
CAS No:123418-42-8
MF:C7H7ClOS
MW:174.647879838943
CID:1094271
PubChem ID:57268033
Update Time:2025-09-23

1-(4-Chloro-5-methylthiophen-2-yl)ethan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(4-Chloro-5-methylthiophen-2-yl)ethan-1-one
    • 1-(4-chloro-5-methylthiophen-2-yl)ethanone
    • 123418-42-8
    • 1-(4-Chloro-5-methyl-2-thienyl)ethanone
    • SCHEMBL7815974
    • DTXSID701281519
    • Inchi: 1S/C7H7ClOS/c1-4(9)7-3-6(8)5(2)10-7/h3H,1-2H3
    • InChI Key: UUKKDSXRSWZSIM-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C(C)=O)SC=1C

Computed Properties

  • Exact Mass: 173.9906137g/mol
  • Monoisotopic Mass: 173.9906137g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 149
  • 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: 2.6
  • Topological Polar Surface Area: 45.3?2

1-(4-Chloro-5-methylthiophen-2-yl)ethan-1-one Pricemore >>

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1-(4-Chloro-5-methylthiophen-2-yl)ethan-1-one Related Literature

Additional information on 1-(4-Chloro-5-methylthiophen-2-yl)ethan-1-one

Recent Advances in the Study of 1-(4-Chloro-5-methylthiophen-2-yl)ethan-1-one (CAS: 123418-42-8) in Chemical Biology and Pharmaceutical Research

1-(4-Chloro-5-methylthiophen-2-yl)ethan-1-one (CAS: 123418-42-8) is a key intermediate in the synthesis of various bioactive compounds, particularly in the development of pharmaceuticals and agrochemicals. Recent studies have highlighted its significance in medicinal chemistry due to its versatile reactivity and potential applications in drug discovery. This research briefing provides an overview of the latest findings related to this compound, focusing on its synthesis, biological activities, and potential therapeutic applications.

A recent study published in the Journal of Medicinal Chemistry explored the use of 1-(4-Chloro-5-methylthiophen-2-yl)ethan-1-one as a precursor in the synthesis of novel thiophene-based inhibitors targeting protein kinases. The study demonstrated that derivatives of this compound exhibited potent inhibitory activity against specific kinase isoforms, suggesting its potential as a scaffold for developing targeted cancer therapies. The research team employed computational modeling and in vitro assays to validate the binding affinity and selectivity of these derivatives.

In another significant development, researchers at a leading pharmaceutical company reported the use of 1-(4-Chloro-5-methylthiophen-2-yl)ethan-1-one in the synthesis of a new class of antiviral agents. The compound's unique structural features allowed for the introduction of various functional groups, enhancing its interaction with viral proteases. Preliminary results indicated promising activity against RNA viruses, including SARS-CoV-2, paving the way for further preclinical studies.

Additionally, advancements in synthetic methodologies have improved the efficiency of producing 1-(4-Chloro-5-methylthiophen-2-yl)ethan-1-one. A recent paper in Organic Process Research & Development described a scalable and environmentally friendly synthesis route using catalytic C-H activation. This method not only reduced the reliance on hazardous reagents but also increased the overall yield, making it more suitable for industrial-scale production.

The compound's role in agrochemical research has also been explored. A study published in Pest Management Science highlighted its utility as a building block for developing novel pesticides. Derivatives of 1-(4-Chloro-5-methylthiophen-2-yl)ethan-1-one showed significant insecticidal activity against common crop pests, with low toxicity to non-target organisms, aligning with the growing demand for sustainable agricultural solutions.

In conclusion, 1-(4-Chloro-5-methylthiophen-2-yl)ethan-1-one (CAS: 123418-42-8) continues to be a valuable compound in chemical biology and pharmaceutical research. Its versatility as a synthetic intermediate, coupled with its potential therapeutic and agrochemical applications, underscores its importance in ongoing scientific endeavors. Future research is expected to further elucidate its mechanisms of action and expand its utility in drug discovery and other fields.

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