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Thiamine disulfide

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Identification
Molecular formula
C12H20N4O2S
CAS number
67-03-8
IUPAC name
ethyl [2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-hydroxyethyl)prop-1-enyl]sulfanylformate
State
State

At room temperature, thiamine disulfide is a solid compound typically supplied in crystalline or powdered form.

Melting point (Celsius)
248.00
Melting point (Kelvin)
521.15
Boiling point (Celsius)
198.80
Boiling point (Kelvin)
471.95
General information
Molecular weight
338.43g/mol
Molar mass
338.4340g/mol
Density
1.3050g/cm3
Appearence

Thiamine disulfide appears as a white to off-white crystalline powder. It may also appear as a fine powder with slight hygroscopic properties.

Comment on solubility

Solubility of Ethyl [2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-hydroxyethyl)prop-1-enyl]sulfanylformate

The solubility of ethyl [2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-hydroxyethyl)prop-1-enyl]sulfanylformate is influenced by several factors due to its complex molecular structure. In general, the following points can be considered:

  • Polarity: Compounds that contain polar functional groups, such as amino and hydroxyl groups, typically exhibit increased solubility in polar solvents like water.
  • Hydrogen Bonding: The presence of both amino and hydroxyl groups suggests the potential for significant hydrogen bonding, which can enhance solubility in aqueous environments.
  • Hydrophobic Regions: If the compound possesses hydrophobic alkyl chains or aromatic rings, solubility in nonpolar solvents may be favored while resulting in lower solubility in water.
  • pH Dependence: Given the presence of amino groups, the solubility may vary with pH, as protonation and deprotonation can significantly influence solubility in aqueous solutions.

Ultimately, the solubility characteristics of ethyl [2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-hydroxyethyl)prop-1-enyl]sulfanylformate can be summarized with the phrase: "The more polar and capable of hydrogen bonding a compound is, the more soluble it tends to be in water." However, its exact solubility parameters will require empirical testing to fully understand its behavior in various solvents.

Interesting facts

Interesting Facts about Ethyl [2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-hydroxyethyl)prop-1-enyl]sulfanylformate

This compound represents a fascinating intersection of organic chemistry and medicinal applications. Here are some insightful aspects that emphasize its significance:

  • Complex Structure: The compound contains a pyrimidine ring, which is a six-membered ring with nitrogen atoms, known for its role in various biological processes. Pyrimidines are fundamental building blocks in nucleic acid structures, such as DNA and RNA.
  • Potential Biological Activity: With its amino and hydroxyethyl functional groups, this compound has potential as a therapeutic agent. Compounds that contain both amino groups and aromatic systems often exhibit biological properties such as enzyme inhibition or anti-cancer activities.
  • Formyl Group Influence: The presence of a formyl group in its structure suggests the potential for reactivity, making it interesting for further chemical modifications. Formyl groups are often involved in various chemical reactions such as nucleophilic additions and condensation reactions.
  • Sulfanyl Functional Group: The sulfanyl group (–S–) suggests enhanced reactivity and can influence the overall properties of the compound, inviting exploration in fields like coordination chemistry or catalysis.
  • Multifunctional Applications: The combination of diverse functional groups speaks to its multifunctional potential, opening doors for synthesizing new materials, pharmaceuticals, or agricultural chemicals.

In summary, ethyl [2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-hydroxyethyl)prop-1-enyl]sulfanylformate is not just a compound of interest due to its unique chemical makeup, but it also embodies the challenges and excitement found in medicinal chemistry. The overlaps between its structure and biological activity pave the way for researching new treatments, highlighting the endless possibilities in chemical science.