Cas no 57830-49-6 (2-(trifluoromethyl)sulfanylpyridine)

2-(trifluoromethyl)sulfanylpyridine structure
57830-49-6 structure
Product Name:2-(trifluoromethyl)sulfanylpyridine
CAS No:57830-49-6
MF:C6H4F3NS
MW:179.162870407104
MDL:MFCD00817041
CID:344023
PubChem ID:10943043
Update Time:2025-04-23

2-(trifluoromethyl)sulfanylpyridine Chemical and Physical Properties

Names and Identifiers

    • Pyridine, 2-[(trifluoromethyl)thio]-
    • 2-(trifluoromethylsulfanyl)pyridine
    • CZHXAJUGVVDTNH-UHFFFAOYSA-N
    • SCHEMBL10739482
    • 57830-49-6
    • 2-[(trifluoromethyl)sulfanyl]pyridine
    • DTXSID50449187
    • EN300-211923
    • 2-(trifluoromethyl)sulfanylpyridine
    • MDL: MFCD00817041
    • Inchi: 1S/C6H4F3NS/c7-6(8,9)11-5-3-1-2-4-10-5/h1-4H
    • InChI Key: CZHXAJUGVVDTNH-UHFFFAOYSA-N
    • SMILES: S(C(F)(F)F)C1C=CC=CN=1

Computed Properties

  • Exact Mass: 179.00172
  • Monoisotopic Mass: 179.00165479g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 126
  • 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: 2.9
  • Topological Polar Surface Area: 38.2?2

Experimental Properties

  • PSA: 12.89

2-(trifluoromethyl)sulfanylpyridine Pricemore >>

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Additional information on 2-(trifluoromethyl)sulfanylpyridine

Pyridine, 2-[(trifluoromethyl)thio] (CAS No: 57830-49-6)

Pyridine, 2-[(trifluoromethyl)thio], also known as 2-(trifluoromethylthio)pyridine, is a heterocyclic aromatic compound with significant applications in various fields of chemistry and materials science. This compound has garnered attention due to its unique electronic properties and structural versatility, making it a valuable building block in organic synthesis and material engineering.

The molecular structure of Pyridine, 2-[(trifluoromethyl)thio] consists of a pyridine ring substituted with a trifluoromethylthio group at the 2-position. This substitution pattern imparts distinct electronic characteristics to the molecule, including enhanced electron-withdrawing effects due to the trifluoromethyl group and sulfur atom. Recent studies have demonstrated that these properties make the compound highly suitable for applications in drug design, where fine-tuning electronic interactions is crucial for achieving desired pharmacological outcomes.

In terms of synthesis, researchers have developed several efficient routes to prepare Pyridine, 2-[(trifluoromethyl)thio]. One prominent method involves the nucleophilic substitution of a suitable pyridine derivative with a trifluoromethylthiol group. This approach has been optimized to achieve high yields and excellent purity, ensuring that the compound is readily available for further studies and applications.

The electronic properties of Pyridine, 2-[(trifluoromethyl)thio] have been extensively investigated using computational chemistry techniques. These studies reveal that the trifluoromethylthio substituent significantly alters the π-electron density of the pyridine ring, enhancing its reactivity towards electrophilic substitution reactions. This makes the compound an attractive candidate for use in organic electronics, where controlling electron density is essential for device performance.

Recent advancements in materials science have highlighted the potential of Pyridine, 2-[(trifluoromethyl)thio] as a precursor for constructing advanced functional materials. For instance, researchers have successfully incorporated this compound into polymer frameworks to create materials with tailored optical and electronic properties. These materials show promise for applications in light-emitting diodes (LEDs), sensors, and energy storage devices.

In addition to its synthetic and materials-related applications, Pyridine, 2-[(trifluoromethyl)thio] has also been explored in catalysis. Its ability to coordinate with metal centers makes it a potential ligand in transition metal-catalyzed reactions. Recent studies have demonstrated its effectiveness in facilitating cross-coupling reactions under mild conditions, suggesting its utility in sustainable chemical synthesis.

The environmental impact of Pyridine, 2-[(trifluoromethyl)thio] has also been a topic of interest. Researchers have investigated its biodegradation pathways and toxicity profiles to assess its safety for industrial use. Results indicate that while the compound exhibits moderate toxicity towards aquatic organisms, proper handling and disposal protocols can mitigate environmental risks.

In conclusion, Pyridine, 2-[(trifluoromethyl)thio] (CAS No: 57830-49-6) stands out as a versatile and valuable compound in modern chemistry and materials science. Its unique electronic properties, efficient synthesis methods, and diverse applications underscore its importance as a key building block for advancing technological innovations across multiple disciplines.

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