Cas no 128143-17-9 (Thiourea, [4-fluoro-3-(trifluoromethyl)phenyl]-)

[4-Fluoro-3-(trifluoromethyl)phenyl]thiourea is a fluorinated thiourea derivative characterized by its unique structural and electronic properties. The presence of both fluorine and trifluoromethyl groups enhances its reactivity and selectivity, making it valuable in organic synthesis and pharmaceutical applications. This compound exhibits strong electron-withdrawing effects, which can influence reaction pathways and improve yields in nucleophilic substitution or condensation reactions. Its stability under various conditions allows for versatile use in intermediate synthesis, particularly in the development of agrochemicals and bioactive molecules. The fluorine substituents further contribute to increased lipophilicity, potentially improving membrane permeability in drug design. Proper handling is required due to its reactivity with strong acids or bases.
Thiourea, [4-fluoro-3-(trifluoromethyl)phenyl]- structure
128143-17-9 structure
Product Name:Thiourea, [4-fluoro-3-(trifluoromethyl)phenyl]-
CAS No:128143-17-9
MF:C8H6F4N2S
MW:238.205254077911
CID:1222359
PubChem ID:20157461
Update Time:2025-05-26

Thiourea, [4-fluoro-3-(trifluoromethyl)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • Thiourea, [4-fluoro-3-(trifluoromethyl)phenyl]-
    • (4-Fluoro-3-trifluoromethyl-phenyl)-thiourea
    • [4-fluoro-3-(trifluoromethyl)phenyl]thiourea
    • 4-FLUORO-3-TRIFLUOROMETHYLPHENYLTHIOUREA
    • 128143-17-9
    • SCHEMBL2579126
    • DTXSID60603056
    • 4-FLUORO-3-(TRIFLUOROMETHYL)PHENYLTHIOUREA
    • AKOS010478981
    • EN300-6762521
    • JPCYQRBIHAGREP-UHFFFAOYSA-N
    • A907895
    • N-[4-Fluoro-3-(trifluoromethyl)phenyl]thiourea
    • CS-0257724
    • MDL: MFCD14600404
    • Inchi: 1S/C8H6F4N2S/c9-6-2-1-4(14-7(13)15)3-5(6)8(10,11)12/h1-3H,(H3,13,14,15)
    • InChI Key: JPCYQRBIHAGREP-UHFFFAOYSA-N
    • SMILES: S=C(N)NC1=CC=C(C(C(F)(F)F)=C1)F

Computed Properties

  • Exact Mass: 238.01888
  • Monoisotopic Mass: 238.019
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 243
  • 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: 70.1A^2

Experimental Properties

  • PSA: 38.05

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Additional information on Thiourea, [4-fluoro-3-(trifluoromethyl)phenyl]-

Thiourea, [4-fluoro-3-(trifluoromethyl)phenyl] (CAS No. 128143-17-9): A Comprehensive Overview

Thiourea, [4-fluoro-3-(trifluoromethyl)phenyl] (CAS No. 128143-17-9) is a specialized organic compound that has garnered significant attention in the fields of chemistry and materials science due to its unique structural properties and potential applications. This compound is characterized by its thiourea functional group (-CSNH2) attached to a fluorinated aromatic ring, specifically a 4-fluoro-3-(trifluoromethyl)phenyl group. The combination of these functional groups imparts distinctive chemical and physical properties, making it a subject of interest for researchers and industry professionals alike.

The molecular structure of thiourea, [4-fluoro-3-(trifluoromethyl)phenyl] (CAS No. 128143-17-9), is notable for its aromaticity and the presence of electron-withdrawing groups such as fluorine and trifluoromethyl (-CF3). These groups significantly influence the electronic properties of the molecule, enhancing its reactivity in various chemical reactions. Recent studies have highlighted the potential of this compound in applications ranging from pharmaceuticals to advanced materials.

One of the most recent advancements involving thiourea, [4-fluoro-3-(trifluoromethyl)phenyl] (CAS No. 128143-17-9), is its role in the development of novel catalysts for organic synthesis. Researchers have demonstrated that this compound can act as an efficient ligand in transition metal-catalyzed reactions, facilitating the formation of complex organic molecules with high precision. This discovery has opened new avenues for green chemistry and sustainable chemical processes.

In addition to its catalytic applications, thiourea, [4-fluoro-3-(trifluoromethyl)phenyl] (CAS No. 128143-17-9), has shown promise in the field of materials science, particularly in the synthesis of advanced polymers and composites. Its ability to form stable covalent bonds with other functional groups makes it an ideal candidate for designing materials with tailored mechanical and thermal properties.

Another area where this compound has made significant strides is in pharmaceutical research. Studies have shown that thiourea derivatives, including CAS No. 128143-17-9, exhibit potential anti-inflammatory and antioxidant activities, which could be harnessed for developing new therapeutic agents. Ongoing research is focused on optimizing its bioavailability and efficacy for clinical applications.

From a synthetic perspective, the preparation of thiourea, [4-fluoro-3-(trifluoromethyl)phenyl] (CAS No. 128143-17-9), involves a multi-step process that typically begins with the synthesis of the aromatic precursor followed by coupling reactions to introduce the thiourea group. Recent innovations in reaction methodology have enabled higher yields and improved purity levels, making this compound more accessible for large-scale applications.

In conclusion, thiourea, [4-fluoro-3-(trifluoromethyl)phenyl] (CAS No. 128143-17-9), stands out as a versatile compound with a wide range of potential applications across multiple disciplines. Its unique combination of structural features and functional groups positions it as a valuable tool for advancing modern chemical research and industrial processes.

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