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Thiamine (Vitamin B1)

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Identification
Molecular formula
C12H17N4O4S
CAS number
59-43-8
IUPAC name
1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(methylaminomethyl)-2-sulfanyl-pyrimidin-4-one
State
State

At room temperature, Thiamine is typically in a solid state, specifically as a crystalline powder.

Melting point (Celsius)
248.00
Melting point (Kelvin)
521.15
Boiling point (Celsius)
369.00
Boiling point (Kelvin)
642.15
General information
Molecular weight
337.27g/mol
Molar mass
337.2730g/mol
Density
1.2100g/cm3
Appearence

Thiamine often appears as a white crystalline powder. It is stable under normal conditions but can degrade or lose its efficacy when exposed to high temperatures or alkaline conditions. It has a slight, characteristic odor and a bitter taste.

Comment on solubility

Solubility of 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(methylaminomethyl)-2-sulfanyl-pyrimidin-4-one

The solubility of the compound C12H17N4O4S can be nuanced due to its complex structure and functional groups. Here are some key points regarding its solubility:

  • Polar Functional Groups: The presence of hydroxyl (-OH) groups in the compound suggests a tendency towards increased solubility in polar solvents such as water. These groups can engage in hydrogen bonding, facilitating dissolution.
  • Thiol Group: The sulfanyl (-SH) group typically enhances solubility in aqueous environments, further promoting interaction with water molecules.
  • Amine Group: The methylaminomethyl group may also contribute to the solubility profile, as it can act as a weak base, potentially interacting with acids in solution.
  • Overall Polar Character: Given the compound’s overall structure, it is likely to be more soluble in polar solvents compared to non-polar solvents, aiding in its bioavailability in biological systems.

In summary, this compound's solubility can be expected to be relatively high in water, primarily due to its polar hydrophilic groups. Therefore, understanding its solubility can aid significantly in predicting its behavior in biological and chemical environments.

Interesting facts

Interesting Facts about 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(methylaminomethyl)-2-sulfanyl-pyrimidin-4-one

This fascinating compound is not just a whimsical assembly of atoms but holds significant potential in various fields. Let us explore what makes it intriguing:

  • Biological Significance: It plays a role in various biological processes, particularly those involving nucleic acid metabolism and enzyme function.
  • Pharmaceutical Applications: Due to its unique structure, this compound may have potential applications in drug design, particularly in treatments targeting cellular functions and metabolic pathways.
  • Synthetic Complexity: The synthesis of this compound involves multiple steps, showcasing the skill and creativity required in organic synthesis. 
  • Structure-Activity Relationship (SAR): The presence of various functional groups like hydroxymethyl and sulfanyl moieties offers rich avenues for studying their effects on biological activity.

In the words of many chemists, "Every compound tells a story of its origin, synthesis, and potential." The exploration of this compound highlights the beauty and complexity inherent in the world of chemistry.

Moreover, ongoing research into such compounds enhances our understanding of how specific molecular architectures can influence their interactions within biological systems, paving the way for innovative therapeutic strategies.