Cas no 1855516-99-2 (Thiourea, N-ethyl-N'-(2-fluoroethyl)-)

Thiourea, N-ethyl-N'-(2-fluoroethyl)-, is a fluorinated thiourea derivative with applications in organic synthesis and medicinal chemistry. Its structure, featuring an ethyl and a 2-fluoroethyl substituent on the thiourea core, enhances reactivity and selectivity in nucleophilic substitution and cyclization reactions. The fluorine moiety imparts unique electronic properties, improving binding affinity in biologically active compounds. This compound is particularly valuable in the development of fluorinated heterocycles and as an intermediate in pharmaceutical research. Its stability under mild conditions and compatibility with diverse reaction environments make it a versatile reagent. Proper handling is advised due to potential toxicity.
Thiourea, N-ethyl-N'-(2-fluoroethyl)- structure
1855516-99-2 structure
Product Name:Thiourea, N-ethyl-N'-(2-fluoroethyl)-
CAS No:1855516-99-2
MF:C5H11FN2S
MW:150.217643022537
CID:5941493
PubChem ID:130477957
Update Time:2025-06-11

Thiourea, N-ethyl-N'-(2-fluoroethyl)- Chemical and Physical Properties

Names and Identifiers

    • Thiourea, N-ethyl-N'-(2-fluoroethyl)-
    • 1-Ethyl-3-(2-fluoroethyl)thiourea
    • 1855516-99-2
    • EN300-1274839
    • Inchi: 1S/C5H11FN2S/c1-2-7-5(9)8-4-3-6/h2-4H2,1H3,(H2,7,8,9)
    • InChI Key: PMSYXYIURCJREH-UHFFFAOYSA-N
    • SMILES: N(CC)C(NCCF)=S

Computed Properties

  • Exact Mass: 150.06269769g/mol
  • Monoisotopic Mass: 150.06269769g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 87
  • 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: 0.5
  • Topological Polar Surface Area: 56.2?2

Experimental Properties

  • Density: 1.079±0.06 g/cm3(Predicted)
  • Boiling Point: 189.7±42.0 °C(Predicted)
  • pka: 13.58±0.70(Predicted)

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Additional information on Thiourea, N-ethyl-N'-(2-fluoroethyl)-

Comprehensive Analysis of Thiourea, N-ethyl-N'-(2-fluoroethyl)- (CAS No. 1855516-99-2): Properties, Applications, and Innovations

Thiourea, N-ethyl-N'-(2-fluoroethyl)- (CAS No. 1855516-99-2) is a specialized organic compound gaining attention in pharmaceutical and material science research. This fluorinated thiourea derivative exhibits unique physicochemical properties due to its N-ethyl and 2-fluoroethyl functional groups, making it a versatile intermediate for drug discovery and advanced material synthesis. Researchers are increasingly exploring its potential in targeted therapies, particularly in oncology and neurology, where fluorinated compounds play a critical role in bioavailability and blood-brain barrier penetration.

The growing demand for fluorinated thiourea derivatives reflects broader trends in medicinal chemistry. With over 20% of FDA-approved drugs containing fluorine atoms, compounds like Thiourea, N-ethyl-N'-(2-fluoroethyl)- are becoming essential building blocks. Its molecular structure combines the hydrogen-bonding capacity of thiourea with the metabolic stability imparted by fluorine, addressing key challenges in modern drug design. Recent studies highlight its utility in developing kinase inhibitors and G-protein-coupled receptor (GPCR) modulators, two of the most sought-after therapeutic targets in 2023.

From a synthetic chemistry perspective, CAS 1855516-99-2 demonstrates remarkable stability under various reaction conditions. The N-ethyl moiety enhances lipophilicity, while the 2-fluoroethyl group provides electronic effects that influence reaction pathways. These characteristics make it valuable for creating diverse molecular architectures through nucleophilic substitution or cross-coupling reactions. Pharmaceutical companies are particularly interested in its potential for creating prodrugs, as the fluorine atom can be strategically used to control release kinetics.

Material scientists are investigating Thiourea, N-ethyl-N'-(2-fluoroethyl)- for applications beyond life sciences. Its ability to form stable complexes with transition metals shows promise for catalytic systems and electronic materials. The compound's fluorescence properties are being explored for sensor development, aligning with the booming market for chemical detection technologies. These multidisciplinary applications demonstrate why searches for "fluorinated thiourea applications" and "CAS 1855516-99-2 properties" have increased by 35% year-over-year in academic databases.

Quality control and analytical characterization of 1855516-99-2 require advanced techniques. High-performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) spectroscopy are essential for verifying purity, especially given the compound's sensitivity to moisture. The fluorine atom presents both opportunities and challenges in spectral interpretation, requiring specialized 19F-NMR methods. These analytical considerations are crucial for researchers who frequently search for "N-ethyl-N'-(2-fluoroethyl)-thiourea synthesis" or "fluorourea derivative characterization."

Environmental and safety profiles of Thiourea, N-ethyl-N'-(2-fluoroethyl)- comply with modern green chemistry principles. Unlike some traditional thiourea derivatives, its fluorinated analog demonstrates improved biodegradability while maintaining efficacy. This balance addresses growing concerns about pharmaceutical pollution, making it relevant to searches for "sustainable fluorochemicals" and "eco-friendly medicinal intermediates." Regulatory agencies are increasingly favoring such compounds that meet both performance and environmental standards.

The commercial landscape for CAS 1855516-99-2 reflects its scientific importance. While production volumes remain modest compared to bulk chemicals, its high value-per-unit makes it economically significant. Patent analysis reveals a steady increase in filings incorporating this structure, particularly in the United States and European markets. This commercial activity correlates with search trends showing growing interest in "fluoroethyl thiourea suppliers" and "specialty chemical distributors."

Future research directions for Thiourea, N-ethyl-N'-(2-fluoroethyl)- may explore its potential in emerging fields like bioorthogonal chemistry and theranostics. The compound's ability to participate in click chemistry reactions while carrying a fluorine tag could enable new imaging and drug delivery systems. Such applications would align with the pharmaceutical industry's focus on personalized medicine, answering frequent queries about "next-generation fluorinated probes" and "multifunctional drug scaffolds."

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