Cas no 862483-52-1 (cycloheptylthiourea)

Cycloheptylthiourea is a thiourea derivative characterized by the presence of a cycloheptyl substituent attached to the thiourea functional group. This compound is primarily utilized in organic synthesis and coordination chemistry due to its ability to act as a ligand, forming stable complexes with various metal ions. Its cycloheptyl moiety enhances steric and electronic properties, making it useful in selective binding applications. Cycloheptylthiourea may also serve as an intermediate in pharmaceutical and agrochemical research. The compound's stability and reactivity under controlled conditions make it a valuable reagent for specialized synthetic pathways. Proper handling and storage are recommended to maintain its integrity.
cycloheptylthiourea structure
cycloheptylthiourea structure
Product Name:cycloheptylthiourea
CAS No:862483-52-1
MF:C8H16N2S
MW:172.291040420532
MDL:MFCD08277608
CID:718434
PubChem ID:13433274
Update Time:2025-05-20

cycloheptylthiourea Chemical and Physical Properties

Names and Identifiers

    • Thiourea,N-cycloheptyl-
    • cycloheptylthiourea
    • CYCLOHEPTYL-THIOUREA
    • N-cycloheptylThiourea
    • Thiourea,cycloheptyl
    • Thiourea,N-cycloheptyl
    • STEAROYLCOENZYMEA
    • WBNUBZZHHXFAGK-UHFFFAOYSA-N
    • AKOS005254776
    • EN300-124715
    • SCHEMBL1605352
    • DTXSID40540652
    • 1-cycloheptylthiourea
    • SCHEMBL8345551
    • MFCD08277608
    • 862483-52-1
    • FT-0769283
    • MDL: MFCD08277608
    • Inchi: 1S/C8H16N2S/c9-8(11)10-7-5-3-1-2-4-6-7/h7H,1-6H2,(H3,9,10,11)
    • InChI Key: WBNUBZZHHXFAGK-UHFFFAOYSA-N
    • SMILES: S=C(N)NC1CCCCCC1

Computed Properties

  • Exact Mass: 172.10300
  • Monoisotopic Mass: 172.10341969g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 128
  • 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: 1.9
  • Topological Polar Surface Area: 70.1?2

Experimental Properties

  • Density: 1.07
  • Boiling Point: 279.2°C at 760 mmHg
  • Flash Point: 122.7°C
  • Refractive Index: 1.556
  • PSA: 70.14000
  • LogP: 2.63360

cycloheptylthiourea 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%

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cycloheptylthiourea Suppliers

Amadis Chemical Company Limited
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(CAS:862483-52-1)cycloheptylthiourea
Order Number:A1182577
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 01:50
Price ($):279.0

cycloheptylthiourea Related Literature

Additional information on cycloheptylthiourea

Professional Introduction to Cycloheptylthiourea (CAS No. 862483-52-1)

Cycloheptylthiourea, identified by the Chemical Abstracts Service Number (CAS No.) 862483-52-1, is a significant compound in the field of pharmaceutical chemistry and bioorganic synthesis. This heterocyclic thiol derivative has garnered attention due to its versatile structural framework and potential applications in medicinal chemistry. The compound features a cycloheptyl group attached to a thiourea moiety, which imparts unique reactivity and functionalization possibilities, making it a valuable intermediate in the synthesis of more complex molecules.

The structural motif of Cycloheptylthiourea contributes to its broad utility in chemical transformations. The presence of both sulfur and nitrogen atoms in its core structure allows for participation in various coordination chemistry interactions, nucleophilic substitutions, and metal-organic frameworks (MOFs) formations. These characteristics are particularly relevant in the development of novel catalysts and materials with enhanced selectivity and stability, areas where cutting-edge research is actively exploring the potential of such thiol-based compounds.

In recent years, Cycloheptylthiourea has been investigated for its role as a building block in the synthesis of biologically active scaffolds. Its incorporation into pharmacophores has shown promise in modulating enzyme activities and receptor interactions. For instance, derivatives of this compound have been explored as potential inhibitors in the treatment of metabolic disorders and inflammatory conditions. The cycloheptyl group, with its rigid bicyclic structure, provides steric hindrance that can fine-tune binding affinities, while the thiourea moiety offers opportunities for hydrogen bonding and ionic interactions with biological targets.

One of the most compelling aspects of Cycloheptylthiourea is its adaptability in synthetic methodologies. Researchers have leveraged its reactivity to develop novel cross-coupling reactions, including thiourea-mediated C-N bond formations that are pivotal in constructing complex heterocyclic systems. These advances are particularly relevant in drug discovery pipelines, where efficient construction of molecular diversity is essential for identifying lead compounds with optimal pharmacokinetic properties.

The pharmaceutical industry has also shown interest in Cycloheptylthiourea for its potential as a precursor to sulfur-containing drugs. Sulfur-based pharmacophores are widely recognized for their role in medicinal chemistry due to their ability to engage with biological systems through multiple interaction mechanisms. For example, studies have demonstrated that thiourea derivatives can exhibit antimicrobial and antiviral properties by disrupting essential metabolic pathways in pathogens. This has spurred further investigation into optimizing Cycloheptylthiourea derivatives for therapeutic applications.

From a materials science perspective, Cycloheptylthiourea has been explored as a component in advanced polymer formulations. Its incorporation into polymeric matrices enhances thermal stability and chemical resistance, making it useful in high-performance coatings and adhesives. Additionally, the compound’s ability to form coordination complexes with transition metals has opened avenues for developing smart materials that respond to environmental stimuli, such as pH changes or metal ion concentrations.

The synthesis of Cycloheptylthiourea itself presents an intriguing challenge due to the need for precise functional group control. Modern synthetic approaches often involve multi-step sequences that require careful optimization to achieve high yields and purity. Advances in catalytic methods have significantly improved access to this compound, enabling larger-scale production for industrial applications. These synthetic breakthroughs underscore the growing importance of heterocyclic thiol derivatives like Cycloheptylthiourea in both academic research and industrial chemistry.

Future research directions for Cycloheptylthiourea are likely to focus on expanding its utility in drug discovery and material science. Innovations such as computational modeling and high-throughput screening may accelerate the identification of novel derivatives with enhanced biological activity or material properties. Furthermore, green chemistry principles are expected to influence synthetic strategies, emphasizing sustainable methodologies that minimize waste and energy consumption.

In conclusion, Cycloheptylthiourea (CAS No. 862483-52-1) represents a fascinating compound with diverse applications across pharmaceuticals, materials science, and chemical synthesis. Its unique structural features offer opportunities for innovation at multiple levels, from developing new therapeutics to creating advanced materials with tailored functionalities. As research continues to uncover new possibilities for this versatile molecule, its significance is poised to grow further within the scientific community.

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Amadis Chemical Company Limited
(CAS:862483-52-1)cycloheptylthiourea
A1182577
Purity:99%
Quantity:1g
Price ($):279.0
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