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Thiazolium dye

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Identification
Molecular formula
C39H56N4S3
CAS number
.null.
IUPAC name
2-[3,5-bis(3-heptyl-4-methyl-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-heptyl-4-methyl-thiazole
State
State

At room temperature, it is typically a solid, crystalline in nature, with a yellow-orange color that indicates its potential usage as a dye. Its structure includes extended conjugation, making it optimal for applications in photonics and optoelectronics.

Melting point (Celsius)
270.00
Melting point (Kelvin)
543.00
Boiling point (Celsius)
350.00
Boiling point (Kelvin)
623.00
General information
Molecular weight
772.11g/mol
Molar mass
772.1130g/mol
Density
1.2678g/cm3
Appearence

The compound is a crystalline solid with a yellow-orange color, common to many thiazolium-based dyes. It is highly soluble in polar organic solvents and shows significant fluorescence.

Comment on solubility

Solubility of 2-[3,5-bis(3-heptyl-4-methyl-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-heptyl-4-methyl-thiazole

The solubility of the compound 2-[3,5-bis(3-heptyl-4-methyl-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-heptyl-4-methyl-thiazole, with the chemical formula C39H56N4S3, presents intriguing characteristics due to its complex structure. Here are some key points regarding its solubility:

  • General Solubility: This compound is expected to exhibit limited solubility in polar solvents because of its predominantly hydrophobic nature, characterized by long hydrocarbon chains.
  • Non-Polar Solvents: It is more likely to be soluble in non-polar solvents such as hexane or dichloromethane, making it suitable for use in organic solutions.
  • Structural Influence: The thiazole groups within the structure might impart some degree of amphiphilicity, but overall, their influence on solubility is often outweighed by the larger alkyl groups.
  • Temperature Dependence: Solubility might increase with temperature, as is common with organic compounds, allowing for better dissolution in non-polar media at elevated temperatures.

In summary, while this compound may show slight solubility in certain solvents, it predominantly aligns with the behavior observed for larger organic compounds, emphasizing its solubility challenges in more polar environments. Overall, careful consideration of solvent choice is essential for effective applications.

Interesting facts

Interesting Facts About 2-[3,5-bis(3-heptyl-4-methyl-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-heptyl-4-methyl-thiazole

This complex compound belongs to a class of molecules characterized by their intricate thiazole functional groups. It is noteworthy for various reasons:

  • Structural Complexity: This compound showcases a unique architecture, featuring multiple thiazole rings and heptyl chains that contribute to its distinct chemical behavior and potential applications.
  • Biological Activity: Thiazole derivatives have been extensively studied for their biological properties. Many compounds in this category exhibit antimicrobial, anti-inflammatory, and anticancer activities, which raise exciting possibilities for pharmaceutical research.
  • Transition States: The existence of *penta-2,4-dienylidene* moieties in the structure may facilitate intriguing resonance forms, potentially affecting its reactivity and stability. Understanding these states could lead to advancements in organic synthesis.
  • Photosynthetic Properties: Some thiazole compounds are known to exhibit photophysical properties that make them candidates for use in solar energy applications. Their ability to absorb light efficiently may contribute to developing new photovoltaic materials.
  • Synthesis Challenges: The synthetic pathways required to produce such compounds can be quite complex, involving multiple steps and careful conditions. This complexity can lead to interesting discussions around synthetic chemistry techniques.

In summary, 2-[3,5-bis(3-heptyl-4-methyl-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-heptyl-4-methyl-thiazole serves as a fascinating subject of study due to its unique structure, potential biological significance, and role in material science. As quoted by leading chemists, "The beauty of chemistry lies in complexity and the myriad ways a small alteration in structure can lead to vast changes in function!"