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3-methyl-2-[(2E,4E)-5-(3-methyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-6-nitro-1,3-benzothiazole

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Identification
Molecular formula
C18H13N4O4S2
CAS number
52769-39-8
IUPAC name
3-methyl-2-[(2E,4E)-5-(3-methyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-6-nitro-1,3-benzothiazole
State
State

The compound is a solid at room temperature, often handled in powder or crystal form for analytical applications.

Melting point (Celsius)
210.00
Melting point (Kelvin)
483.15
Boiling point (Celsius)
460.00
Boiling point (Kelvin)
733.15
General information
Molecular weight
441.48g/mol
Molar mass
441.4830g/mol
Density
1.4300g/cm3
Appearence

The compound appears as a yellow to orange crystalline solid. Its vibrant color is due to the extended conjugation of alternating single and double bonds along the molecular backbone.

Comment on solubility

Solubility of 3-methyl-2-[(2E,4E)-5-(3-methyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-6-nitro-1,3-benzothiazole

The solubility of 3-methyl-2-[(2E,4E)-5-(3-methyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-6-nitro-1,3-benzothiazole in various solvents can be influenced by several factors. This compound, characterized by its complex structure, exhibits varying solubility behavior depending on environmental conditions.

Some important points to consider regarding its solubility include:

  • The presence of multiple functional groups which can lead to polarity variations.
  • Interactions with solvent molecules can create unique solvation dynamics.
  • Temperature fluctuations may also alter solubility, potentially enhancing the dissolution rate.

Generally, benzothiazole derivatives tend to be more soluble in polar organic solvents compared to non-polar solvents. This solubility behavior can be summarized as:

  1. High Solubility: Commonly in solvents like DMSO, DMF, or acetone.
  2. Moderate Solubility: Observed in alcohols (such as ethanol).
  3. Low Solubility: Notable in non-polar solvents like hexane or cyclohexane.

In conclusion, understanding the solubility of this compound is crucial for its application and usage in various chemical processes, and further studies can elucidate its behavior in different mediums. Proper solvent selection will play a significant role in achieving the desired results in practical applications.

Interesting facts

Fascinating Insights into 3-methyl-2-[(2E,4E)-5-(3-methyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-6-nitro-1,3-benzothiazole

This complex organic compound, featuring multiple functional groups and an intricate structure, offers a wealth of interesting attributes for both chemists and researchers. Here are some compelling facts about this intriguing compound:

  • Benzothiazole Backbone: The compound’s structure incorporates a benzothiazole moiety, which is known for its versatile applications in pharmaceuticals and agrochemicals.
  • Nitro Groups: With two nitro substituents, this compound showcases the potential for reactivity, which can be exploited in various chemical reactions, such as nitration or reduction processes.
  • Biological Significance: Compounds containing benzothiazole units have been investigated for their biological activities, including antimicrobial and anticancer properties, making them promising candidates in medicinal chemistry.
  • Spectroscopic Characteristics: The presence of nitro and conjugated double bonds in its structure can lead to distinct spectroscopic features, potentially making this compound notable in techniques like IR and UV-Vis spectroscopy.
  • Potential in Material Science: Given the compound's unique electronic properties owing to its pi-conjugated system, it could find applications in organic electronics and photonic devices.
  • Stereochemistry: The compound contains specific stereochemical configurations (2E and 4E), adding another layer of complexity and importance in the study of isomerism in organic compounds.

As research continues, 3-methyl-2-[(2E,4E)-5-(3-methyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-6-nitro-1,3-benzothiazole may lead us towards innovative applications and deeper understanding in both organic synthesis and material design.