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Methylthioninium bromide

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Identification
Molecular formula
C16H18N3SBr
CAS number
7220-79-3
IUPAC name
3-[[3,6-dioxo-4-[3-(triethylammonio)propylamino]cyclohexa-1,4-dien-1-yl]amino]propyl-triethyl-ammonium;dibromide
State
State

At room temperature, methylthioninium bromide is typically observed as a solid. It is often handled as a powder that can be dissolved in water or other solvents when used in laboratory settings or applications.

Melting point (Celsius)
190.00
Melting point (Kelvin)
463.00
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
319.85g/mol
Molar mass
319.8510g/mol
Density
1.4340g/cm3
Appearence

Methylthioninium bromide, commonly known as methylene blue, appears as a dark green crystalline powder with a bronze-like luster when in solid form. In solution, it reflects a deep blue color, making it easily recognizable. It is often used in aqueous solutions and exhibits a bright blue coloration in liquid form.

Comment on solubility

Solubility of 3-[[3,6-dioxo-4-[3-(triethylammonio)propylamino]cyclohexa-1,4-dien-1-yl]amino]propyl-triethyl-ammonium;dibromide

The solubility of this complex compound can be influenced by several factors, primarily due to its unique structure involving multiple functional groups and the presence of bromide ions. Here are some important points to consider:

  • Polarity: The presence of triethylammonio groups suggests a high degree of polarity, which typically favors solubility in polar solvents such as water.
  • Ionic Nature: As a dibromide salt, the ionic character can enhance solubility in aqueous solutions due to interactions with water molecules.
  • Hydrogen Bonding: The availability of nitrogen and oxygen atoms in the structure may allow for hydrogen bonding, further promoting solubility in suitable solvents.
  • Organic Solvents: While it may dissolve well in water, its solubility in organic solvents might vary, potentially being less soluble in non-polar environments.

Despite these favorable characteristics, specific quantitative solubility data may be limited, indicating the need for laboratory testing to fully understand the solubility behavior of this compound. In general, one can say that the unique combination of charged and polar groups enhances the solubility characteristics markedly.

Interesting facts

Interesting Facts about 3-[[3,6-Dioxo-4-[3-(Triethylammonio)propylamino]Cyclohexa-1,4-Dien-1-Yl]Amino]Propyl-Triethyl-Ammonium;Dibromide

This compound is a fascinating example of a quaternary ammonium salt with significant potential in various fields, particularly in medicinal chemistry and materials science. Here are some highlights:

  • Dual Functionality: The presence of both ammonium and dioxo groups indicates a potential for versatile interactions within biological systems and the possibility of serving as a drug delivery agent.
  • Structural Complexity: With a cyclohexadienyl framework and triethylammonium moieties, this molecule exemplifies the intricate structures often found in modern pharmaceutical compounds.
  • Biological Activity: Compounds like this one can interact with biological membranes and proteins, making them excellent candidates for studies in antimicrobial properties or cellular uptake mechanisms.
  • Electrostatic Properties: The dicharge of the ammonium groups can lead to interesting ionic interactions in solution, influencing solubility and stability, which are crucial in drug formulation.
  • Potential Applications: This compound may have implications in the development of new therapeutics or diagnostic agents due to its structural properties and reactivity.

In summary, 3-[[3,6-Dioxo-4-[3-(Triethylammonio)propylamino]Cyclohexa-1,4-Dien-1-Yl]Amino]Propyl-Triethyl-Ammonium;Dibromide showcases the intersection of innovative molecular design and practical applications in chemistry. As researchers continue to explore its properties, the compound has the potential to reveal valuable insights into both synthetic approaches and biological interactions.

Synonyms
2748-49-4
1-Propanaminium, 3,3'-((3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)diimino)bis(N,N,N-triethyl-, dibromide
NSC 231592
Benzoquinone, 2,5-bis(3-diethylaminopropylamino), bis-ethobromide
Ammonium, (p-benzoquinon-2,5-ylenebis(iminotrimethylene))bis(triethyl-, dibromide
Ammonium, (p-benzoquinone-2,5-ylenebis(iminotrimethylene))bis(triethyl-, dibromide