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Indigo Carmine

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Identification
Molecular formula
C16H8N2Na2O8S2
CAS number
860-22-0
IUPAC name
3-[2-[4-(1,3-dibutyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
State
State

At room temperature, Indigo Carmine exists in a solid state. It is sold and utilized in powdered form and has a tendency to absorb moisture when exposed to air due to its hydrophilic nature.

Melting point (Celsius)
300.00
Melting point (Kelvin)
573.00
Boiling point (Celsius)
500.00
Boiling point (Kelvin)
773.00
General information
Molecular weight
466.36g/mol
Molar mass
466.3590g/mol
Density
0.9009g/cm3
Appearence

Indigo Carmine, also known as 5,5'-indigodisulfonic acid sodium salt, typically appears as a dark blue to purple powder. This vibrant coloration makes it useful as a dye, and it is often applied in various industrial processes. When dissolved, Indigo Carmine forms a bright blue solution.

Comment on solubility

Solubility of 3-[2-[4-(1,3-dibutyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonic acid

The solubility of the compound C16H8N2Na2O8S2 is notably influenced by its unique molecular structure, including both hydrophobic and hydrophilic components. Here are some important points regarding its solubility:

  • Hydrophilic Groups: The presence of the sulfonic acid group enhances solubility in water, enabling interactions through hydrogen bonding.
  • Hydrophobic Regions: The dibutyl moieties may introduce hydrophobic characteristics, which could limit solubility in aqueous solutions.
  • Coordination of Metals: This compound can potentially form complexes with metal ions, which may affect solubility in systems containing such ions.
  • pH Dependency: The solubility could vary significantly with pH, especially since sulfonic acids often exhibit increased solubility at lower pH values.

In summary, while the compound's hydrophilic sulfonic acid group may facilitate solubility in polar solvents like water, the presence of hydrophobic segments can create challenges. Therefore, understanding the balance between these regions is essential for predicting solubility behavior in various environments.

Interesting facts

Interesting Facts about 3-[2-[4-(1,3-dibutyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonic acid

This complex compound is a fascinating example of organic chemistry, showcasing a blend of various functional groups and structural motifs. Below are some interesting insights into this compound:

  • Multi-Functional Design: The compound features an intricate structure that includes a sulfonic acid group, a functional feature known for its strong acidity and solubility properties. This makes it an excellent candidate for various applications in organic synthesis and drug design.
  • Thioxo and Dioxo Features: The presence of both thioxo and dioxo functional groups highlights the compound's potential reactivity and versatility in chemical reactions. These features may influence its behavior in diverse biochemical environments.
  • Heterocyclic Chemistry: Incorporating hexahydropyrimidine and benzoxazole rings into the structure presents unique opportunities for interactions. Heterocycles are frequently utilized in pharmaceuticals, underscoring the potential medicinal properties of this compound.
  • Bioactivity Potential: The distinct arrangement of the dibutyl and the enylidene moieties might be instrumental in enhancing the bioactivity of this compound, making it a subject of interest for further biological evaluation.
  • Synthetic Pathways: The synthetic route to create such a compound is likely to be intricate, involving multiple reaction steps. This complexity can provide a rich field for exploration in synthetic organic chemistry.

In summary, 3-[2-[4-(1,3-dibutyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonic acid exemplifies the creativity that can emerge in chemical synthesis, offering a wealth of possibilities for research and application in various fields!

Synonyms
SCHEMBL5586053
DTXSID10866952
3-[(2e)-2-[(2z)-4-(1,3-Dibutyl-4,6-Dioxo-2-Thioxotetrahydropyrimidin-5(2h)-Ylidene)but-2-En-1-Ylidene]-1,3-Benzoxazol-3(2h)-Yl]propane-1-Sulfonic Acid
Q27451433
3-{2-[4-(1,3-Dibutyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl}propane-1-sulfonic acid