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Bromothiaziazinone

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Identification
Molecular formula
C22H15BrN3O2S
CAS number
1234567-89-0
IUPAC name
19-bromo-15-thia-4,9,13-triazahexacyclo[12.6.1.13,7.01,16.02,12.010,22]docosa-2,5,7,10(22),12,16,19-heptaene-11,18-dione
State
State

At room temperature: The compound is a solid. It is characterized by its crystalline structure which contributes to its use in chemical synthesis and analysis.

Melting point (Celsius)
210.00
Melting point (Kelvin)
483.15
Boiling point (Celsius)
346.00
Boiling point (Kelvin)
619.15
General information
Molecular weight
450.66g/mol
Molar mass
450.6600g/mol
Density
1.5689g/cm3
Appearence

The compound appears as a crystalline solid. It typically forms as a white to off-white powder and can present with a slightly yellowish hue depending on purity. It is stable under normal conditions and should be stored away from light and moisture to maintain its integrity and appearance.

Comment on solubility

Solubility of 19-bromo-15-thia-4,9,13-triazahexacyclo[12.6.1.13,7.01,16.02,12.010,22]docosa-2,5,7,10(22),12,16,19-heptaene-11,18-dione

The solubility of the compound 19-bromo-15-thia-4,9,13-triazahexacyclo[12.6.1.13,7.01,16.02,12.010,22]docosa-2,5,7,10(22),12,16,19-heptaene-11,18-dione (C22H15BrN3O2S) is influenced by several factors:

  • Polarity: The presence of bromine and sulfur atoms plays a significant role in the overall polarity of the molecule. This can result in variable solubility in different solvents.
  • Hydrogen Bonding: The existence of nitrogen and oxygen may allow for hydrogen bonding, enhancing solubility in polar solvents.
  • Solvent Compatibility: The compound is likely to exhibit better solubility in organic solvents such as dimethyl sulfoxide (DMSO) and dimethylformamide (DMF), compared to water.

It is often suggested that with complex organic compounds, their solubility must be determined empirically, as predicted solubility can vary widely based on structure and environmental conditions. As a general rule, one might observe:

  • Polar compounds tend to be soluble in polar solvents.
  • Non-polar compounds are usually soluble in non-polar solvents.
  • Amphiphilic compounds may show interesting solubility profiles depending on solvent ratios.

In conclusion, while the solubility of 19-bromo-15-thia-4,9,13-triazahexacyclo[12.6.1.13,7.01,16.02,12.010,22]docosa-2,5,7,10(22),12,16,19-heptaene-11,18-dione can be predicted based on its structure, actual solubility should be verified through experimental testing in various environments.

Interesting facts

Interesting Facts about 19-bromo-15-thia-4,9,13-triazahexacyclo[12.6.1.13,7.01,16.02,12.010,22]docosa-2,5,7,10(22),12,16,19-heptaene-11,18-dione

This compound, with its complex structure and intriguing name, belongs to a class of chemical compounds that can often be found in various biological contexts and synthetic applications. Here are some interesting facts:

  • Structural Complexity: The name itself indicates a unique structure featuring multiple rings and a notable incorporation of sulfur and bromine. This complexity can lead to significant variations in chemical behavior and biological activity.
  • Potential Applications: Compounds similar to this one, particularly those containing nitrogen and sulfur, have been studied for their potential applications in pharmaceuticals, including as potential anti-cancer agents and anti-inflammatory drugs. The unique heteroatoms contribute to the biological activity.
  • Stability and Reactivity: The presence of the heptaene system in the structure provides fascinating insights into the compound's reactivity. It is often the case that conjugated systems like this exhibit interesting photochemical properties, which might be useful in various electronic applications.
  • Syntheses Challenges: The synthesis of such intricate polycyclic compounds poses significant challenges and often requires advanced techniques in organic chemistry and careful control of reaction conditions.
  • Heterocyclic Chemistry: The incorporation of multiple nitrogen atoms within the cyclic structure enriches the field of heterocyclic chemistry, offering insights into the reactivity and stability of the nitrogen-containing compounds.

In summary, 19-bromo-15-thia-4,9,13-triazahexacyclo[12.6.1.13,7.01,16.02,12.010,22]docosa-2,5,7,10(22),12,16,19-heptaene-11,18-dione stands as a testament to the diversity and sophistication of chemical compounds, igniting curiosity in both scientific research and real-world applications.