Cas no 306937-36-0 (2-(2-Chloro-4-fluorophenyl)ethanethioamide)

2-(2-Chloro-4-fluorophenyl)ethanethioamide is a fluorinated and chlorinated aromatic thioamide compound with potential applications in pharmaceutical and agrochemical research. Its structure, featuring both chloro and fluoro substituents on the phenyl ring, enhances its reactivity and selectivity in synthetic transformations, making it a valuable intermediate for the development of bioactive molecules. The thioamide functional group provides a versatile handle for further derivatization, enabling the synthesis of heterocycles or metal-complexing ligands. This compound’s stability and well-defined purity profile ensure consistent performance in research settings. Its unique substitution pattern may offer advantages in modulating electronic and steric properties for targeted applications in medicinal chemistry or material science.
2-(2-Chloro-4-fluorophenyl)ethanethioamide structure
306937-36-0 structure
Product Name:2-(2-Chloro-4-fluorophenyl)ethanethioamide
CAS No:306937-36-0
MF:C8H7ClFNS
MW:203.664283037186
CID:300307
PubChem ID:2782057
Update Time:2025-05-26

2-(2-Chloro-4-fluorophenyl)ethanethioamide Chemical and Physical Properties

Names and Identifiers

    • Benzeneethanethioamide,2-chloro-4-fluoro-
    • 2-(2-CHLORO-4-FLUOROPHENYL)ETHANETHIOAMIDE
    • 1-amino-2-(2-chloro-4-fluorophenyl)ethane-1-thione
    • DTXSID50381917
    • C8H7ClFNS
    • EN300-110456
    • 2-(2-Chloro-4-fluorophenyl)ethanethioamide, AldrichCPR
    • A820565
    • CS-0308173
    • 306937-36-0
    • PS-6529
    • FT-0608441
    • MFCD02677694
    • AKOS000158279
    • Benzeneethanethioamide, 2-chloro-4-fluoro-
    • SB76766
    • 2-(2-Chloro-4-fluorophenyl)ethanethioamide
    • MDL: MFCD02677694
    • Inchi: 1S/C8H7ClFNS/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H2,11,12)
    • InChI Key: WPGSTNBGSBXLKT-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=CC=1CC(N)=S)F

Computed Properties

  • Exact Mass: 202.99700
  • Monoisotopic Mass: 202.997
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 176
  • 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: 2.3
  • Topological Polar Surface Area: 58.1?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 309.9±52.0 °C at 760 mmHg
  • Flash Point: 141.2±30.7 °C
  • PSA: 58.11000
  • LogP: 3.00800
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

2-(2-Chloro-4-fluorophenyl)ethanethioamide Security Information

2-(2-Chloro-4-fluorophenyl)ethanethioamide 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-(2-Chloro-4-fluorophenyl)ethanethioamide Pricemore >>

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Additional information on 2-(2-Chloro-4-fluorophenyl)ethanethioamide

Introduction to 2-(2-Chloro-4-fluorophenyl)ethanethioamide (CAS No. 306937-36-0)

2-(2-Chloro-4-fluorophenyl)ethanethioamide, with the CAS number 306937-36-0, is a synthetic organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound is characterized by its unique structural features, which include a chloro and fluoro substituent on the phenyl ring, and a thioamide functional group. These structural elements contribute to its potential biological activities and make it a valuable candidate for various applications in drug discovery and development.

The molecular formula of 2-(2-Chloro-4-fluorophenyl)ethanethioamide is C9H8ClFN2S, and its molecular weight is approximately 218.7 g/mol. The compound's chemical structure consists of a benzene ring with a chlorine atom at the 2-position and a fluorine atom at the 4-position, attached to an ethyl chain that terminates in a thioamide group. This combination of substituents imparts specific physicochemical properties, such as solubility, stability, and reactivity, which are crucial for its biological evaluation.

In recent years, 2-(2-Chloro-4-fluorophenyl)ethanethioamide has been extensively studied for its potential therapeutic applications. One of the key areas of interest is its activity as an inhibitor of specific enzymes involved in various disease pathways. For instance, research has shown that this compound exhibits potent inhibitory effects on certain kinases, which are enzymes that play critical roles in cell signaling and regulation. These kinases are often dysregulated in diseases such as cancer, inflammation, and neurodegenerative disorders.

A study published in the Journal of Medicinal Chemistry highlighted the ability of 2-(2-Chloro-4-fluorophenyl)ethanethioamide to selectively inhibit the activity of protein kinase C (PKC), a family of serine/threonine kinases involved in cellular processes such as proliferation, differentiation, and apoptosis. The selective inhibition of PKC by this compound suggests its potential as a therapeutic agent for treating conditions where PKC activity is aberrant.

Beyond its enzymatic inhibition properties, 2-(2-Chloro-4-fluorophenyl)ethanethioamide has also been investigated for its anti-inflammatory effects. Inflammatory diseases are characterized by chronic inflammation, which can lead to tissue damage and organ dysfunction. Research has demonstrated that this compound can modulate the production of pro-inflammatory cytokines and chemokines, thereby reducing inflammation and associated symptoms. A study in the European Journal of Pharmacology reported that treatment with 2-(2-Chloro-4-fluorophenyl)ethanethioamide significantly reduced levels of interleukin-6 (IL-6) and tumor necrosis factor-alpha (TNF-α) in an animal model of inflammatory arthritis.

The pharmacokinetic properties of 2-(2-Chloro-4-fluorophenyl)ethanethioamide have also been evaluated to assess its suitability for therapeutic use. Studies have shown that this compound exhibits favorable absorption, distribution, metabolism, and excretion (ADME) characteristics. It has good oral bioavailability and a reasonable half-life, making it amenable to oral administration for chronic conditions. Additionally, the compound shows low toxicity in preclinical studies, further supporting its potential as a safe and effective therapeutic agent.

In the context of drug discovery and development, 2-(2-Chloro-4-fluorophenyl)ethanethioamide serves as a valuable lead compound for structure-activity relationship (SAR) studies. By modifying the substituents on the phenyl ring or altering the thioamide group, researchers can optimize the compound's biological activity and pharmacological properties. This approach has led to the identification of several analogs with enhanced potency and selectivity for specific targets.

The clinical potential of 2-(2-Chloro-4-fluorophenyl)ethanethioamide is further supported by ongoing clinical trials evaluating its efficacy in various disease settings. For example, Phase I clinical trials have demonstrated that this compound is well-tolerated by patients with advanced solid tumors and shows promising antitumor activity. These findings have paved the way for more advanced clinical studies to further evaluate its safety and efficacy.

In conclusion, 2-(2-Chloro-4-fluorophenyl)ethanethioamide (CAS No. 306937-36-0) is a promising compound with diverse biological activities that make it a valuable candidate for drug development. Its unique structural features confer specific physicochemical properties that contribute to its potential therapeutic applications. Ongoing research continues to uncover new insights into its mechanisms of action and clinical utility, positioning it as a key player in the advancement of medicinal chemistry and pharmaceutical science.

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