Cas no 444791-19-9 (3-CHLORO-5-(4-CHLOROBENZYLSULFONYL)-1,2,4-THIADIAZOLE)
3-CHLORO-5-(4-CHLOROBENZYLSULFONYL)-1,2,4-THIADIAZOLE Chemical and Physical Properties
Names and Identifiers
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- 3-CHLORO-5-(4-CHLOROBENZYLSULFONYL)-1,2,4-THIADIAZOLE
- 3-Chloro-5-(4-chlorobenzyl sulphonyl)1,2,4-thiadiazole
- 3-CHLORO-5-(4-CHLOROBENZYLSULFONYL)-1,2,4-
- 3-chloro-5-[(4-chlorophenyl)methylsulfonyl]-1,2,4-thiadiazole
- AC1LNZ4J
- AG-F-56144
- CTK1D5393
- FT-0644693
- KB-181697
- DTXSID90361011
- 3-Chloro-5-(4-chlorobenzyl sulfonyl)1,2,4-thiadiazole
- 3-Chloro-5-((4-chlorobenzyl)sulfonyl)-1,2,4-thiadiazole
- 3-chloro-5-[(4-chlorophenyl)methanesulfonyl]-1,2,4-thiadiazole
- MFCD03068920
- A826595
- 444791-19-9
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- MDL: MFCD03068920
- Inchi: 1S/C9H6Cl2N2O2S2/c10-7-3-1-6(2-4-7)5-17(14,15)9-12-8(11)13-16-9/h1-4H,5H2
- InChI Key: FXTWSTDRNCUMIK-UHFFFAOYSA-N
- SMILES: ClC1C=CC(=CC=1)CS(C1=NC(=NS1)Cl)(=O)=O
Computed Properties
- Exact Mass: 307.92500
- Monoisotopic Mass: 307.9247752g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 353
- 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: 3.4
- Topological Polar Surface Area: 96.5?2
Experimental Properties
- PSA: 96.54000
- LogP: 3.89960
3-CHLORO-5-(4-CHLOROBENZYLSULFONYL)-1,2,4-THIADIAZOLE Customs Data
- HS CODE:2934999090
- Customs Data:
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
3-CHLORO-5-(4-CHLOROBENZYLSULFONYL)-1,2,4-THIADIAZOLE Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM520481-1g |
3-Chloro-5-((4-chlorobenzyl)sulfonyl)-1,2,4-thiadiazole |
444791-19-9 | 97% | 1g |
$*** | 2023-05-30 |
3-CHLORO-5-(4-CHLOROBENZYLSULFONYL)-1,2,4-THIADIAZOLE Related Literature
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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4. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
Additional information on 3-CHLORO-5-(4-CHLOROBENZYLSULFONYL)-1,2,4-THIADIAZOLE
Comprehensive Analysis of 3-CHLORO-5-(4-CHLOROBENZYLSULFONYL)-1,2,4-THIADIAZOLE (CAS No. 444791-19-9)
3-CHLORO-5-(4-CHLOROBENZYLSULFONYL)-1,2,4-THIADIAZOLE (CAS No. 444791-19-9) is a specialized heterocyclic compound belonging to the 1,2,4-thiadiazole family. This sulfur- and nitrogen-containing structure has garnered significant attention in pharmaceutical and agrochemical research due to its unique physicochemical properties and potential bioactivity. The compound's molecular formula is C9H7Cl2N2O2S2, featuring a chlorobenzylsulfonyl moiety that contributes to its distinct reactivity profile.
Recent studies highlight the growing interest in sulfonyl-containing heterocycles like 3-CHLORO-5-(4-CHLOROBENZYLSULFONYL)-1,2,4-THIADIAZOLE for their role in drug discovery. The compound's dual chloro-substitution pattern makes it particularly valuable as a building block for designing kinase inhibitors and antimicrobial agents. Researchers are actively investigating its potential in addressing antibiotic resistance – a critical global health challenge highlighted by WHO. The thiadiazole core demonstrates remarkable metabolic stability, a property highly sought after in developing long-acting therapeutic agents.
The synthesis of CAS 444791-19-9 typically involves multi-step reactions starting from commercially available 4-chlorobenzyl mercaptan. Advanced purification techniques such as preparative HPLC ensure high purity (>98%) for research applications. Analytical characterization via LC-MS and NMR spectroscopy confirms the compound's structural integrity, with the sulfonyl group showing characteristic signals in the 13C spectrum between 50-60 ppm. These quality control measures address the pharmaceutical industry's increasing demand for well-characterized chemical entities.
From an environmental perspective, the biodegradation pathways of chlorinated thiadiazoles have become a hot research topic. Recent computational studies using QSAR models predict moderate environmental persistence for this compound, prompting investigations into green chemistry approaches for its synthesis. The scientific community is particularly interested in developing catalytic methods to reduce waste generation during production, aligning with the principles of sustainable chemistry.
In material science applications, derivatives of 3-CHLORO-5-(4-CHLOROBENZYLSULFONYL)-1,2,4-THIADIAZOLE have shown promise as precursors for organic semiconductors. The compound's π-conjugated system and electron-withdrawing sulfonyl group contribute to interesting charge transport properties. This has led to patent filings exploring its use in organic light-emitting diodes (OLEDs) and photovoltaic devices, responding to the growing market demand for energy-efficient technologies.
The compound's structure-activity relationships (SAR) continue to be explored through molecular docking studies. Computational chemistry reveals that the chlorobenzylsulfonyl moiety can participate in unique binding interactions with biological targets, particularly enzymes containing hydrophobic pockets. These findings are driving innovation in computer-aided drug design (CADD), where researchers frequently search for "bioisosteric replacements" and "privileged scaffolds" in medicinal chemistry.
Quality standards for CAS 444791-19-9 have become more stringent, with analytical methods now requiring ICH Q2(R1) validation for pharmaceutical applications. The compound's stability under various storage conditions (temperature, humidity, light exposure) is thoroughly documented in regulatory submissions. This reflects the industry's shift toward data-driven quality assurance protocols and addresses common search queries about "chemical stability testing protocols."
Emerging research explores the compound's potential in click chemistry applications. The thiadiazole ring can participate in copper-catalyzed azide-alkyne cycloadditions (CuAAC), making it valuable for bioconjugation and polymer chemistry. This application aligns with current trends in nanotechnology and targeted drug delivery systems, frequently searched topics in materials science databases.
Safety assessments of 3-CHLORO-5-(4-CHLOROBENZYLSULFONYL)-1,2,4-THIADIAZOLE follow GHS classification standards, with comprehensive toxicological profiling available in scientific literature. The compound's handling procedures emphasize proper personal protective equipment (PPE) and engineering controls, addressing workplace safety concerns that frequently appear in chemical industry search trends.
The global market for specialty chemicals like CAS 444791-19-9 is projected to grow at 6.2% CAGR (2023-2030), driven by pharmaceutical R&D investments. Suppliers now offer custom synthesis services and bulk quantities to meet diverse research needs, responding to procurement-related search queries about "reliable specialty chemical suppliers" and "scale-up synthesis services."
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