Cas no 52057-91-7 (5-Hexyl-1,3,4-thiadiazol-2-amine)

5-Hexyl-1,3,4-thiadiazol-2-amine is a heterocyclic organic compound featuring a 1,3,4-thiadiazole core substituted with a hexyl group at the 5-position and an amine group at the 2-position. This structure imparts unique chemical properties, making it valuable in pharmaceutical and agrochemical research. Its thiadiazole moiety contributes to potential biological activity, while the hexyl chain enhances lipophilicity, improving membrane permeability. The compound is often utilized as an intermediate in the synthesis of more complex molecules, particularly those targeting antimicrobial or antifungal applications. Its stability and reactivity under controlled conditions make it a reliable building block in medicinal chemistry and material science.
5-Hexyl-1,3,4-thiadiazol-2-amine structure
52057-91-7 structure
Product Name:5-Hexyl-1,3,4-thiadiazol-2-amine
CAS No:52057-91-7
MF:C8H15N3S
MW:185.289799928665
CID:360766
PubChem ID:1895039
Update Time:2025-06-14

5-Hexyl-1,3,4-thiadiazol-2-amine Chemical and Physical Properties

Names and Identifiers

    • 1,3,4-Thiadiazol-2-amine, 5-hexyl-
    • 5-hexyl-1,3,4-thiadiazol-2-amine
    • HMS2461B09
    • HCBLNSKOAPHNKQ-UHFFFAOYSA-N
    • EU-0001556
    • 5-Hexyl-1,3,4-thiadiazol-2-amine, AldrichCPR
    • MLS000532032
    • AKOS001476652
    • A918437
    • SR-01000400624
    • SR-01000400624-1
    • CHEMBL1607474
    • SCHEMBL11425081
    • DTXSID90365473
    • 52057-91-7
    • SMR000136974
    • CS-0331896
    • 5-hexyl-2-amino-1,3,4-thiadiazole
    • 5-Hexyl-1,3,4-thiadiazol-2-amine
    • MDL: MFCD01043752
    • Inchi: 1S/C8H15N3S/c1-2-3-4-5-6-7-10-11-8(9)12-7/h2-6H2,1H3,(H2,9,11)
    • InChI Key: HCBLNSKOAPHNKQ-UHFFFAOYSA-N
    • SMILES: S1C(N)=NN=C1CCCCCC

Computed Properties

  • Exact Mass: 185.09900
  • Monoisotopic Mass: 185.09866866g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 121
  • 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: 2.8
  • Topological Polar Surface Area: 80?2

Experimental Properties

  • PSA: 80.77000
  • LogP: 2.17320

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5-Hexyl-1,3,4-thiadiazol-2-amine Production Method

5-Hexyl-1,3,4-thiadiazol-2-amine Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:52057-91-7)5-Hexyl-1,3,4-thiadiazol-2-amine
Order Number:A918437
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 13:06
Price ($):325.0

Additional information on 5-Hexyl-1,3,4-thiadiazol-2-amine

Comprehensive Overview of 5-Hexyl-1,3,4-thiadiazol-2-amine (CAS No. 52057-91-7): Properties, Applications, and Industry Insights

5-Hexyl-1,3,4-thiadiazol-2-amine (CAS No. 52057-91-7) is a specialized organic compound belonging to the thiadiazole family, a class of heterocyclic compounds known for their diverse applications in pharmaceuticals, agrochemicals, and material science. The presence of both thiadiazole and amine functional groups in its structure contributes to its unique chemical reactivity and biological activity. This compound has garnered significant attention in recent years due to its potential role in drug discovery and green chemistry initiatives, aligning with the growing demand for sustainable and efficient chemical solutions.

In the pharmaceutical sector, 5-Hexyl-1,3,4-thiadiazol-2-amine is investigated for its bioactive properties, particularly as a building block for small molecule therapeutics. Researchers are exploring its derivatives for antimicrobial, anti-inflammatory, and anticancer activities, addressing global health challenges such as antibiotic resistance and chronic diseases. Its molecular structure allows for facile modifications, making it a versatile scaffold in medicinal chemistry. Recent studies highlight its potential in targeting enzyme inhibition, a hot topic in precision medicine.

The agrochemical industry also benefits from thiadiazole derivatives like 52057-91-7, where they serve as key intermediates for crop protection agents. With the rising emphasis on sustainable agriculture, this compound’s role in developing low-toxicity pesticides and herbicides aligns with the green farming movement. Its efficacy against plant pathogens while minimizing environmental impact is a critical area of research, especially in regions prioritizing food security and soil health.

From a synthetic chemistry perspective, 5-Hexyl-1,3,4-thiadiazol-2-amine exemplifies advancements in heterocyclic synthesis. Innovations in catalysis and solvent-free reactions have improved its production efficiency, reducing waste and energy consumption—a response to the circular economy trend. Analytical techniques such as HPLC and NMR spectroscopy are routinely employed to ensure high purity, a requirement for applications in high-value chemicals.

The compound’s physicochemical properties, including its solubility in organic solvents and thermal stability, make it suitable for material science applications. For instance, it is studied as a precursor for conductive polymers and corrosion inhibitors, addressing needs in renewable energy and infrastructure durability. These applications resonate with current interests in smart materials and energy storage solutions.

Regulatory and safety profiles of CAS No. 52057-91-7 adhere to global standards like REACH and GHS, ensuring safe handling in industrial settings. As consumers and industries prioritize ESG (Environmental, Social, and Governance) compliance, transparency in the lifecycle assessment of such compounds becomes crucial. This aligns with frequent searches on chemical safety data sheets (SDS) and eco-friendly alternatives.

In conclusion, 5-Hexyl-1,3,4-thiadiazol-2-amine represents a multifaceted compound with expanding relevance across scientific and industrial domains. Its integration into cutting-edge research and alignment with sustainability goals underscore its importance in modern chemistry. Future directions may include computational modeling to predict novel applications and scalable synthesis methods to meet commercial demand.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:52057-91-7)5-Hexyl-1,3,4-thiadiazol-2-amine
A918437
Purity:99%
Quantity:1g
Price ($):325.0
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