Cas no 54016-70-5 (3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide)
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide Chemical and Physical Properties
Names and Identifiers
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- 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazoliumbromide
- Atorvastatin Intermediate
- 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium Bromlde
- Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl-, bromide
- 3-ETHYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM BROM
- 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazole bromide
- 3-Ethyl-4-methyl-5-(2-hydroxyethyl)thiazole-3-ium·bromide
- 3-Ethyl-5-(2-hydroxyethyl)-4-methylthianzolium bromide
- 2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol,bromide
- 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazol-3-ium bromide
- 3-ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide
- 2-(3-ethyl-4-methyl-thiazol-3-ium-5-yl)ethanol bromide
- 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium bromide
- BDQRQMLWZJQQKS-UHFFFAOYSA-M
- PubChem15236
- C8H14BrNOS
- KSC272Q3H
- Lipitor
- 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide
-
- MDL: MFCD00040549
- Inchi: 1S/C8H14NOS.BrH/c1-3-9-6-11-8(4-5-10)7(9)2;/h6,10H,3-5H2,1-2H3;1H/q+1;/p-1
- InChI Key: BDQRQMLWZJQQKS-UHFFFAOYSA-M
- SMILES: [Br-].S1C=[N+](CC)C(C)=C1CCO
- BRN: 4165775
Computed Properties
- Exact Mass: 250.99800
- Monoisotopic Mass: 250.997947
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 121
- Covalently-Bonded Unit Count: 2
- 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: nothing
- Topological Polar Surface Area: 52.4
Experimental Properties
- Color/Form: Not determined
- Melting Point: 83.0 to 88.0 deg-C
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Water Partition Coefficient: very faint turbidity
- PSA: 52.35000
- LogP: -2.09730
- Sensitiveness: Sensitive to humidity
- Solubility: Not determined
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315,H319,H335
- Warning Statement: P261,P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: S26-S36
- FLUKA BRAND F CODES:3-10
-
Hazardous Material Identification:
- Storage Condition:Inert atmosphere,Room Temperature
- Safety Term:S26-S36
- Risk Phrases:R36/37/38
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide Customs Data
- HS CODE:2934100090
- Customs Data:
China Customs Code:
2934100090Overview:
2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E121955-100g |
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide |
54016-70-5 | 98% | 100g |
¥816.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E121955-25g |
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide |
54016-70-5 | 98% | 25g |
¥255.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E121955-1g |
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide |
54016-70-5 | 98% | 1g |
¥43.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E121955-5g |
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide |
54016-70-5 | 98% | 5g |
¥63.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E121955-500g |
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide |
54016-70-5 | 98% | 500g |
¥3264.90 | 2023-09-03 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | E0511-25G |
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium Bromide |
54016-70-5 | >98.0%(T)(HPLC) | 25g |
¥590.00 | 2023-09-08 | |
| NAN JING HUA XUE SHI JI GU FEN Co., Ltd. | C1609539467- 1g |
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide |
54016-70-5 | 98%(HPLC) | 1g |
¥ 94.1 | 2021-05-18 | |
| NAN JING HUA XUE SHI JI GU FEN Co., Ltd. | C1609539451- 5g |
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide |
54016-70-5 | 98%(HPLC) | 5g |
¥ 188.2 | 2021-05-18 | |
| Fluorochem | 092966-10g |
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazoliumbromide |
54016-70-5 | 95% | 10g |
£15.00 | 2022-03-01 | |
| Fluorochem | 092966-25g |
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazoliumbromide |
54016-70-5 | 95% | 25g |
£30.00 | 2022-03-01 |
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide Suppliers
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Additional information on 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide
Introduction to 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide (CAS No. 54016-70-5)
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide, identified by the chemical formula CAS No. 54016-70-5, is a compound that has garnered significant attention in the field of medicinal chemistry and materials science due to its unique structural properties and potential applications. This zwitterionic compound belongs to the thiazolium family, which is well-known for its versatility in various biochemical and pharmaceutical contexts. The presence of both ethyl and hydroxyethyl substituents on the thiazole ring introduces specific functional groups that enhance its reactivity and utility in synthetic chemistry.
The compound's structure consists of a central thiazole ring substituted with a methyl group at the 4-position, an ethyl group at the 3-position, and a 2-hydroxyethyl group at the 5-position. The bromide counterion further influences its solubility and interaction with biological systems. This particular arrangement of functional groups makes 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide a promising candidate for applications in drug delivery systems, antimicrobial agents, and as a building block for more complex molecular architectures.
In recent years, there has been growing interest in zwitterionic compounds due to their ability to form stable interactions with biological molecules. The zwitterionic nature of 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide contributes to its biocompatibility and low toxicity, making it suitable for use in biomedical applications. Researchers have explored its potential as a component in non-viral gene delivery systems, where its ability to form stable complexes with nucleic acids could enhance the efficiency of gene transfer.
Moreover, the hydroxyl group in the 2-hydroxyethyl side chain provides a site for further chemical modification, allowing for the development of derivatives with tailored properties. This flexibility has led to investigations into its use as a precursor for synthesizing novel antimicrobial agents. Studies have shown that thiazolium derivatives exhibit broad-spectrum antimicrobial activity by disrupting bacterial cell membranes. The ethyl and hydroxyethyl groups may contribute to improved solubility and membrane permeability, enhancing the compound's efficacy against resistant strains.
The pharmaceutical industry has also been exploring 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide as a potential candidate for anti-inflammatory and anti-cancer therapies. Its structural motifs are reminiscent of known bioactive molecules, suggesting that it may interact with specific targets within cellular pathways. Preliminary computational studies have indicated that this compound could interfere with key enzymes involved in inflammation and cancer progression. While further experimental validation is needed, these findings highlight its potential as a lead compound for drug discovery.
From a materials science perspective, 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide has been investigated for its role in self-assembling systems. Zwitterionic compounds are known to form micelles and vesicles under certain conditions, which can be utilized for encapsulating drugs or other bioactive molecules. The ability to control the size and stability of these structures makes them attractive for targeted drug delivery applications. Additionally, the compound's compatibility with water-based environments enhances its suitability for biomedical uses.
The synthesis of 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide involves multi-step organic reactions that require careful optimization to ensure high yield and purity. The introduction of the ethyl and hydroxyethyl groups necessitates precise control over reaction conditions to avoid unwanted side products. Advances in synthetic methodologies have enabled more efficient production processes, making it feasible to scale up synthesis for industrial applications.
In conclusion, 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide (CAS No. 54016-70-5) is a multifaceted compound with significant potential in pharmaceuticals, materials science, and biotechnology. Its unique structural features make it suitable for diverse applications, from drug delivery to antimicrobial agents and advanced materials. As research continues to uncover new possibilities, this compound is poised to play an increasingly important role in addressing challenges across multiple scientific disciplines.
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