Cas no 4411-26-1 (1-Adamantyl isothiocyanate)

1-Adamantyl isothiocyanate is a rigid, polycyclic organic compound featuring an isothiocyanate functional group bonded to an adamantyl scaffold. Its unique structure imparts high thermal and chemical stability, making it valuable in organic synthesis and medicinal chemistry applications. The adamantyl moiety enhances steric bulk, influencing reactivity and selectivity in nucleophilic addition or cycloaddition reactions. This compound is particularly useful as a building block for designing bioactive molecules, including enzyme inhibitors or ligands for biological targets. Its crystalline form ensures ease of handling and storage. Researchers favor it for its predictable reactivity and compatibility with diverse reaction conditions, enabling precise functionalization in complex molecular frameworks.
1-Adamantyl isothiocyanate structure
1-Adamantyl isothiocyanate structure
Product Name:1-Adamantyl isothiocyanate
CAS No:4411-26-1
MF:C11H15NS
MW:193.30850148201
MDL:MFCD00074736
CID:331235
PubChem ID:107279
Update Time:2025-05-20

1-Adamantyl isothiocyanate Chemical and Physical Properties

Names and Identifiers

    • 1-Isothiocyanatoadamantane
    • 1-Adamantyl Isothiocyanate
    • Isothiocyanic Acid 1-Adamantyl Ester
    • Tricyclo(3.3.1.1'3,7)dec-1-yl isocyanate
    • 1-Adamantylisothiocyanate
    • 1-isothiocyanato-adamantane
    • YPKFLUARLJRPQM-UHFFFAOYSA-N
    • Tricyclo[3.3.1.13,7]decane, 1-isothiocyanato-
    • adamantanisothiocyanate
    • 1-isothiocyanatotricyclo[3.3.1.1~3,7~]decane
    • Tricyclo(3.3.1.1(3,7))decane, 1-isothiocyanato-
    • TRICYCLO[3.3.1.1(3,7)]DECANE, 1-ISOTHIOCYANATO-
    • NSC529585
    • PubChem21574
    • A826491
    • D91167
    • 1-Adamantyl isothiocyanate, 99%
    • NSC 529585
    • AKOS000212453
    • SCHEMBL457124
    • Tricyclo[3.3.1.1(3,7)-]decane, 1-isothiocyanato-
    • F8889-2499
    • adamantyl isothiocyanate
    • NSC-529585
    • CHEMBL5078334
    • EN300-17080
    • MFCD00074736
    • VS-12123
    • FT-0635278
    • BP-11068
    • UNII-V33B5GRD78
    • EINECS 224-564-4
    • 1-Isothiocyanatotricyclo[3.3.1.13,7]decane
    • V33B5GRD78
    • 4411-26-1
    • InChI=1/C11H15NS/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2
    • YPKFLUARLJRPQM-UHFFFAOYSA-
    • AI3-61593
    • Z56872140
    • HMS1786I06
    • NS00031391
    • DTXSID70196040
    • I0485
    • STK802177
    • tricyclo[3.3.1.1~3,7~]decane, 1-isothiocyanato-
    • ALBB-013803
    • BBL033523
    • 1-Adamantyl isothiocyanate
    • MDL: MFCD00074736
    • Inchi: 1S/C11H15NS/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2
    • InChI Key: YPKFLUARLJRPQM-UHFFFAOYSA-N
    • SMILES: S=C=NC12CC3CC(CC(C3)C1)C2

Computed Properties

  • Exact Mass: 193.09300
  • Monoisotopic Mass: 193.09252
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 237
  • 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: 4.2
  • Topological Polar Surface Area: 44.4

Experimental Properties

  • Color/Form: Uncertain
  • Density: 1.35
  • Melting Point: 166-168?°C (lit.)
  • Boiling Point: 297.6 °C at 760 mmHg
  • Flash Point: 138 °C
  • Refractive Index: 1.5500 (estimate)
  • PSA: 44.45000
  • LogP: 3.05800
  • Solubility: Uncertain

1-Adamantyl isothiocyanate Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H302 + H312 + H332-H315-H319-H335
  • Warning Statement: P261-P280-P305+P351+P338
  • Hazardous Material transportation number:2811
  • WGK Germany:3
  • Hazard Category Code: 20/21/22-36/37/38
  • Safety Instruction: S26-S37/39
  • Hazardous Material Identification: Xn
  • HazardClass:6.1(b)
  • PackingGroup:III
  • Safety Term:6.1(b)
  • Packing Group:III
  • Risk Phrases:R20/21/22; R36/37/38
  • Packing Group:III
  • Hazard Level:6.1(b)

1-Adamantyl 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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1-Adamantyl isothiocyanate Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:4411-26-1)1-ADAMANTYL ISOTHIOCYANATE
Order Number:sfd1271
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:32
Price ($):discuss personally

Additional information on 1-Adamantyl isothiocyanate

1-Adamantyl Isothiocyanate: A Comprehensive Overview

1-Adamantyl isothiocyanate, with the CAS number 4411-26-1, is a unique organic compound that has garnered significant attention in various scientific and industrial domains. This compound, belonging to the class of isothiocyanates, exhibits a distinctive structure characterized by an adamantane framework attached to an isothiocyanate group. The adamantane moiety, known for its rigid and highly branched structure, contributes to the compound's stability and potential applications in fields such as materials science, drug delivery, and surface chemistry.

The synthesis of 1-adamantyl isothiocyanate typically involves the reaction of 1-adamantylamine with thiocyanates under specific conditions. Recent advancements in synthetic methodologies have enabled the production of this compound with higher purity and efficiency. Its chemical stability and reactivity make it a valuable precursor in the synthesis of advanced materials and functional molecules.

One of the most promising applications of 1-adamantyl isothiocyanate lies in its use as a building block for constructing advanced polymers and hybrid materials. Researchers have explored its ability to form covalent bonds with various substrates, leading to the development of surface-modified materials with enhanced mechanical and thermal properties. For instance, studies have demonstrated that films prepared using this compound exhibit improved adhesion and wear resistance, making them suitable for high-performance coatings in aerospace and automotive industries.

In the realm of drug delivery systems, 1-adamantyl isothiocyanate has shown potential as a carrier for bioactive molecules. Its amphiphilic nature allows it to interact with both hydrophobic and hydrophilic environments, facilitating the encapsulation and controlled release of drugs. Recent research has focused on its ability to enhance the bioavailability of poorly soluble pharmaceuticals, offering a novel approach to improve therapeutic outcomes.

The biological activity of 1-adamantyl isothiocyanate has also been a subject of interest. Preclinical studies suggest that it possesses anti-inflammatory and antioxidant properties, which could be harnessed for developing new therapeutic agents. Additionally, its interaction with biological membranes has been investigated, providing insights into its potential role in targeting specific cellular pathways.

From an environmental perspective, 1-adamantyl isothiocyanate's degradation behavior under various conditions has been studied to assess its ecological impact. Research indicates that it undergoes slow hydrolysis in aqueous environments, highlighting the need for proper waste management practices to minimize environmental risks.

In conclusion, 1-adamantyl isothiocyanate, CAS number 4411-26-1, stands as a versatile compound with diverse applications across multiple disciplines. Its unique chemical properties, coupled with ongoing research advancements, continue to unlock new possibilities for its utilization in innovative technologies and therapeutic solutions.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:4411-26-1)1-ADAMANTYL ISOTHIOCYANATE
sfd1271
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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