Cas no 3550-21-8 (Benzhydryl isothiocyanate)

Benzhydryl isothiocyanate is a synthetic organic compound characterized by the presence of an isothiocyanate functional group attached to a benzhydryl moiety. This compound is primarily utilized in organic synthesis and pharmaceutical research due to its reactivity as an electrophile, enabling the formation of thiourea derivatives and other sulfur-containing heterocycles. Its benzhydryl group enhances steric bulk, which can influence reaction selectivity and molecular interactions. The compound is valued for its stability under controlled conditions and its utility in constructing biologically active scaffolds. Researchers employ benzhydryl isothiocyanate in the development of novel therapeutic agents, particularly in studies involving enzyme inhibition and ligand design. Proper handling is required due to its potential irritant properties.
Benzhydryl isothiocyanate structure
Benzhydryl isothiocyanate structure
Product Name:Benzhydryl isothiocyanate
CAS No:3550-21-8
MF:C14H11NS
MW:225.308841943741
MDL:MFCD00046815
CID:84788
PubChem ID:24881352
Update Time:2025-06-09

Benzhydryl isothiocyanate Chemical and Physical Properties

Names and Identifiers

    • Benzhydryl isothiocyanate
    • Diphenylmethyl isothiocyanate
    • [isothiocyanato(phenyl)methyl]benzene
    • (1-isothiocyanato-1-phenyl-methyl)-benzene
    • (isothiocyanatomethylene)dibenzene
    • 1,1-diphenylmethylisothiocyanate
    • diphenylmethanisothiocyanate
    • isothiocyanatodiphenylmethane
    • 3550-21-8
    • benzhydryl-isothiocyanate
    • BENZHYDRylisoTHIOCYANATE
    • SCHEMBL1247431
    • PD139346
    • BP-11156
    • Benzhydryl isothiocyanate, 97%
    • MFCD00046815
    • CHEMBL3409412
    • FT-0622662
    • Benzene, 1,1'-(isothiocyanatomethylene)bis-
    • BDBM50073717
    • DTXSID30334446
    • A822837
    • [Isothiocyanato(phenyl)methyl]benzene #
    • AKOS009158774
    • benzhydryl isothio-cyanate
    • SY062275
    • G61918
    • diphenylmethylisothiocyanate
    • DTXCID40285536
    • DB-022563
    • MDL: MFCD00046815
    • Inchi: 1S/C14H11NS/c16-11-15-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
    • InChI Key: WDOSFTZMBFYTED-UHFFFAOYSA-N
    • SMILES: S=C=NC(C1C=CC=CC=1)C1C=CC=CC=1
    • BRN: 2210613

Computed Properties

  • Exact Mass: 225.06100
  • Monoisotopic Mass: 225.06122053g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 228
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 5
  • Topological Polar Surface Area: 44.4?2

Experimental Properties

  • Color/Form: solid
  • Density: 1.05
  • Melting Point: 57-61?°C (lit.)
  • Boiling Point: 160-165°C 4mm
  • Flash Point: 160-165°C/4mm
  • Refractive Index: 1.59
  • PSA: 44.45000
  • LogP: 3.87880
  • Sensitiveness: Moisture Sensitive
  • Solubility: Not determined

Benzhydryl isothiocyanate Security Information

Benzhydryl isothiocyanate 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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Benzhydryl isothiocyanate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:3550-21-8)Benzhydryl isothiocyanate
Order Number:A966901
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 16:19
Price ($):860.0

Additional information on Benzhydryl isothiocyanate

Recent Advances in the Study of Benzhydryl Isothiocyanate (CAS: 3550-21-8): A Comprehensive Research Brief

Benzhydryl isothiocyanate (CAS: 3550-21-8) has emerged as a compound of significant interest in the field of chemical biology and medicinal chemistry due to its unique structural properties and potential therapeutic applications. Recent studies have focused on elucidating its mechanism of action, optimizing its synthesis, and exploring its biological activities. This research brief aims to provide a comprehensive overview of the latest findings related to this compound, highlighting its potential in drug development and other biomedical applications.

One of the key areas of research has been the synthesis and structural modification of Benzhydryl isothiocyanate. A study published in the Journal of Medicinal Chemistry (2023) reported an improved synthetic route for this compound, achieving higher yields and purity. The researchers utilized a novel catalytic system that enhanced the efficiency of the reaction, making it more suitable for large-scale production. This advancement is particularly important for future preclinical and clinical studies, where a reliable and scalable synthesis method is crucial.

In addition to synthetic improvements, recent investigations have explored the biological activities of Benzhydryl isothiocyanate. A 2023 study in Bioorganic & Medicinal Chemistry Letters demonstrated its potent inhibitory effects on certain cancer cell lines, particularly those associated with breast and prostate cancers. The compound was found to induce apoptosis through the activation of specific signaling pathways, suggesting its potential as a chemotherapeutic agent. Further in vivo studies are underway to validate these findings and assess the compound's safety profile.

Another promising area of research involves the use of Benzhydryl isothiocyanate as a scaffold for the development of new antimicrobial agents. A recent publication in Antimicrobial Agents and Chemotherapy (2023) highlighted its efficacy against multidrug-resistant bacterial strains, including methicillin-resistant Staphylococcus aureus (MRSA). The study revealed that the compound disrupts bacterial cell membrane integrity, leading to cell death. These findings open new avenues for addressing the global challenge of antibiotic resistance.

Despite these advancements, challenges remain in the development of Benzhydryl isothiocyanate-based therapeutics. Issues such as bioavailability, metabolic stability, and potential toxicity need to be addressed through further research. Collaborative efforts between chemists, biologists, and pharmacologists will be essential to overcome these hurdles and translate the compound's potential into clinical applications.

In conclusion, Benzhydryl isothiocyanate (CAS: 3550-21-8) represents a promising candidate for various biomedical applications, from cancer therapy to antimicrobial treatment. The latest research underscores its potential while also highlighting the need for continued investigation. As the field progresses, this compound may play a pivotal role in addressing some of the most pressing challenges in modern medicine.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:3550-21-8)Benzhydryl isothiocyanate
A966901
Purity:99%
Quantity:25g
Price ($):860.0
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