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Thiamine (Vitamin B1)

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Identification
Molecular formula
C12H17N4OS+1
CAS number
59-43-8
IUPAC name
[4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-sulfanyl-pent-3-enyl] 2-methylpropanoate
State
State

Thiamine is typically found as a solid at room temperature. It is stable but can degrade under certain conditions such as heat and alkaline environments.

Melting point (Celsius)
248.00
Melting point (Kelvin)
521.00
Boiling point (Celsius)
242.00
Boiling point (Kelvin)
515.00
General information
Molecular weight
265.36g/mol
Molar mass
265.3550g/mol
Density
1.0100g/cm3
Appearence

Thiamine appears as a white crystalline powder with a slight characteristic odor. It is usually stable and water-soluble.

Comment on solubility

Solubility of [4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-sulfanyl-pent-3-enyl] 2-methylpropanoate

The solubility of a compound in a solvent is a significant factor that influences its applications in various fields, particularly in pharmaceuticals and chemical synthesis. The solubility of the compound C12H17N4OS+1 can be discussed in terms of several key factors:

  • Polarity: The presence of functional groups such as amino and sulfanyl significantly affects the polarity of the molecule. The more polar a compound is, the more soluble it may be in polar solvents like water.
  • Hydrogen Bonding: This compound includes groups that can participate in hydrogen bonding, such as -NH2 and -S. These interactions can enhance its solubility in solvents that can serve as hydrogen bond donors or acceptors.
  • Temperature Effects: Generally, solubility increases with temperature, so understanding how temperature impacts the solubility of this compound is crucial for applications where it may be dissolved for reactions or formulations.
  • pH Sensitivity: The solubility could change based on the pH of the solution. Compounds with amino groups may become more soluble in acidic or basic environments where they can ionize.

In summary, while the solubility of [4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-sulfanyl-pent-3-enyl] 2-methylpropanoate in various solvents is influenced by its molecular structure, the key factors identified above provide a basis for understanding its behaviors in different environments. Further experimental determination would be necessary to establish its precise solubility characteristics in specific solvents under varying conditions.

Interesting facts

Interesting Facts about 4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-sulfanyl-pent-3-enyl 2-methylpropanoate

This compound, a fascinating member of the realm of organic chemistry, exhibits a unique combination of functional groups that bestow it with intriguing properties and potential applications. Here are some key points to note:

  • Multifunctionality: The structure contains a pyrimidine moiety, which is known for its presence in numerous biological systems, particularly in nucleic acids.
  • Potential Pharmaceutical Applications: Compounds similar to this structure are often explored for their efficiency as drug candidates. The presence of the amino and sulfanyl groups could potentially contribute to their biological activity, making them worthy of further investigation in medicinal chemistry.
  • Structural Diversity: The incorporation of a pent-3-enyl group introduces unsaturation into the molecule, which can lead to various interesting reactions, including cycloadditions and polymerization, paving the way for synthetic applications.
  • Synthesis Considerations: The complexity of this molecule hints at a challenging but rewarding synthetic pathway. "The most beautiful experience we can have is the mysterious." - Albert Einstein This rings true in the experimental laboratory, where such compounds often emerge from the confluence of creativity and scientific rigor.
  • Research and Development: Given its unique structure, ongoing research may uncover novel insights into its reactivity and interactions with biomolecules, providing both fundamental knowledge and practical applications.

Overall, 4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-sulfanyl-pent-3-enyl 2-methylpropanoate serves as an exemplar of how structural intricacies in organic compounds can influence their properties and utility in various fields of chemistry and biochemistry. Its exploration continues to be a reflection of the innovative spirit found in chemical research.