Cas no 26292-91-1 (1,3,5-Triazine,2-(methylthio)-)
1,3,5-Triazine,2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Triazine,2-(methylthio)-
- 2-METHYLTHIO-S-TRIAZINE
- 2-methylsulfanyl-1,3,5-triazine
- BBA29291
- EN300-7592672
- 2-methylsulfanyl-[1,3,5]triazine
- methylthio-s-triazine
- 2-(methylthio)-1,3,5-triazine
- 26292-91-1
- SCHEMBL135573
- CHEBI:38062
- Q27117365
- 2-(methylsulfanyl)-1,3,5-triazine
- DTXSID20275051
-
- Inchi: 1S/C4H5N3S/c1-8-4-6-2-5-3-7-4/h2-3H,1H3
- InChI Key: WOPHAXVWACNHPM-UHFFFAOYSA-N
- SMILES: S(C)C1N=CN=CN=1
Computed Properties
- Exact Mass: 127.02055
- Monoisotopic Mass: 127.020418
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 62.3
- 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
- Topological Polar Surface Area: 64
- XLogP3: 0.8
Experimental Properties
- Density: 1.28
- Boiling Point: 299.5°Cat760mmHg
- Flash Point: 135°C
- Refractive Index: 1.577
- PSA: 38.67
1,3,5-Triazine,2-(methylthio)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-7592672-0.05g |
2-(methylsulfanyl)-1,3,5-triazine |
26292-91-1 | 95.0% | 0.05g |
$315.0 | 2025-03-22 | |
| Enamine | EN300-7592672-0.1g |
2-(methylsulfanyl)-1,3,5-triazine |
26292-91-1 | 95.0% | 0.1g |
$470.0 | 2025-03-22 | |
| Enamine | EN300-7592672-0.25g |
2-(methylsulfanyl)-1,3,5-triazine |
26292-91-1 | 95.0% | 0.25g |
$672.0 | 2025-03-22 | |
| Enamine | EN300-7592672-0.5g |
2-(methylsulfanyl)-1,3,5-triazine |
26292-91-1 | 95.0% | 0.5g |
$1058.0 | 2025-03-22 | |
| Enamine | EN300-7592672-1.0g |
2-(methylsulfanyl)-1,3,5-triazine |
26292-91-1 | 95.0% | 1.0g |
$1357.0 | 2025-03-22 | |
| Enamine | EN300-7592672-2.5g |
2-(methylsulfanyl)-1,3,5-triazine |
26292-91-1 | 95.0% | 2.5g |
$2660.0 | 2025-03-22 | |
| Enamine | EN300-7592672-5.0g |
2-(methylsulfanyl)-1,3,5-triazine |
26292-91-1 | 95.0% | 5.0g |
$3935.0 | 2025-03-22 | |
| Enamine | EN300-7592672-10.0g |
2-(methylsulfanyl)-1,3,5-triazine |
26292-91-1 | 95.0% | 10.0g |
$5837.0 | 2025-03-22 | |
| Aaron | AR01Q3ZV-50mg |
2-(methylsulfanyl)-1,3,5-triazine |
26292-91-1 | 95% | 50mg |
$459.00 | 2025-08-06 | |
| Aaron | AR01Q3ZV-100mg |
2-(methylsulfanyl)-1,3,5-triazine |
26292-91-1 | 95% | 100mg |
$672.00 | 2025-08-06 |
Additional information on 1,3,5-Triazine,2-(methylthio)-
Professional Introduction to 1,3,5-Triazine,2-(methylthio) (CAS No. 26292-91-1)
1,3,5-Triazine,2-(methylthio), identified by the Chemical Abstracts Service Number (CAS No.) 26292-91-1, is a heterocyclic organic compound that has garnered significant attention in the field of pharmaceutical chemistry and materials science due to its versatile structural framework and functional properties. This compound belongs to the triazine family, which is characterized by a three-membered ring containing three nitrogen atoms. The presence of a methylthio (-SCH?) substituent at the 2-position introduces unique reactivity and potential applications in synthetic chemistry and biological systems.
The molecular structure of 1,3,5-Triazine,2-(methylthio) consists of a central triazine ring with sulfur-containing side chains, making it an interesting candidate for further chemical modifications. The compound’s ability to participate in various chemical reactions, such as nucleophilic substitution and metal coordination, stems from the electron-deficient nature of the nitrogen atoms and the electron-withdrawing effect of the methylthio group. These characteristics have positioned it as a valuable intermediate in the synthesis of more complex molecules.
In recent years, research on 1,3,5-Triazine derivatives has expanded significantly, particularly in the development of novel pharmaceutical agents and agrochemicals. The structural motif of triazines is well-documented for its role in bioactive compounds, including herbicides like atrazine and cyanazine. However, modifications to the core structure can lead to compounds with distinct biological activities. For instance, studies have shown that introducing sulfur-containing groups can enhance binding affinity to certain biological targets.
One of the most compelling aspects of 1,3,5-Triazine,2-(methylthio) is its potential as a building block for drug discovery. The compound’s reactivity allows for facile functionalization at multiple sites on the ring system. Researchers have explored its utility in synthesizing kinase inhibitors, which are critical in treating cancers and inflammatory diseases. The methylthio group serves as a handle for further derivatization via cross-coupling reactions or oxidation processes, enabling access to diverse pharmacophores.
Recent advancements in computational chemistry have also highlighted 1,3,5-Triazine derivatives as candidates for molecular recognition applications. The ability to fine-tune electronic properties through structural modifications makes these compounds suitable for designing receptors that bind specific ions or small molecules. Such applications are particularly relevant in areas like sensing technologies and drug delivery systems.
The synthesis of 1,3,5-Triazine,2-(methylthio) typically involves multi-step organic transformations starting from readily available precursors like chlorotriazines or thiourea derivatives. The introduction of the methylthio group is often achieved through nucleophilic substitution reactions under controlled conditions. Advances in catalytic methods have improved both yield and selectivity in these reactions, making large-scale production more feasible.
In industrial settings, 1,3,5-Triazine derivatives are valued for their role in specialty chemicals and polymers. The incorporation of sulfur into polymers can enhance thermal stability and flame retardancy properties. Additionally, these compounds serve as crosslinking agents in resin formulations due to their ability to form stable covalent bonds under appropriate conditions.
The environmental impact of 1,3,5-Triazine-based compounds has also been a subject of interest. While some derivatives are known for their herbicidal effects, efforts are underway to develop environmentally benign alternatives with reduced persistence in ecosystems. Researchers are investigating biodegradable modifications that maintain efficacy while minimizing ecological footprints.
Looking ahead, future research on 1,3,5-Triazine derivatives may focus on exploring their potential in medicinal chemistry beyond kinase inhibition. For example, studies suggest that these compounds could be repurposed as antiviral agents due to their ability to disrupt viral polymerase enzymes through steric hindrance or covalent binding mechanisms. Additionally,the development of new synthetic methodologies could unlock novel derivatives with enhanced therapeutic profiles.
The versatility of 1-(methylthio)-triazine makes it an indispensable tool for chemists working on complex molecular architectures. Its role as an intermediate bridges fundamental organic chemistry with applied research in drug discovery and material science underscores its significance in modern chemical innovation.
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