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Thiamine (Vitamin B1)

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Identification
Molecular formula
C12H17N4O1S1
CAS number
59-43-8
IUPAC name
5-allyl-5-(1-methylbutyl)-6-oxo-2-sulfanyl-pyrimidin-4-olate
State
State
Thiamine is typically found in solid form as a crystalline powder or in tablets when used in vitamin supplements. It is stable under normal conditions but may degrade when exposed to heat or light over time.
Melting point (Celsius)
248.00
Melting point (Kelvin)
521.15
Boiling point (Celsius)
222.00
Boiling point (Kelvin)
495.15
General information
Molecular weight
265.35g/mol
Molar mass
265.3540g/mol
Density
1.3000g/cm3
Appearence
Thiamine appears as a white crystalline powder or small colorless crystals. It is often seen in its hydrochloride or mononitrate salt forms, which are water-soluble and exhibit a mild yeast-like odor. These forms may absorb moisture from the air.
Comment on solubility

Solubility of 5-allyl-5-(1-methylbutyl)-6-oxo-2-sulfanyl-pyrimidin-4-olate

The solubility of 5-allyl-5-(1-methylbutyl)-6-oxo-2-sulfanyl-pyrimidin-4-olate, with the chemical formula C12H17N4O1S1, is influenced by several factors including its molecular structure and the presence of functional groups. Understanding its solubility characteristics can be summarized as follows:

  • Polarity: The sulfanyl (-SH) group and the oxo (=O) group contribute to the overall polarity of the compound, making it more likely to interact with polar solvents.
  • Hydrogen Bonding: The presence of nitrogen and oxygen in the pyrimidine ring can facilitate hydrogen bonding, enhancing solubility in polar solvents like water.
  • Hydrophobic Interactions: The 1-methylbutyl side chain introduces hydrophobic characteristics, which could lead to limited solubility in aqueous solutions.

In summary, the solubility of this compound is likely to be moderate in polar solvents. It is essential to consider both the polar and non-polar regions of the molecule when predicting its behavior in various solvents. As with many organic compounds, empirical testing is vital for precise solubility assessments.

Interesting facts

Interesting Facts about 5-allyl-5-(1-methylbutyl)-6-oxo-2-sulfanyl-pyrimidin-4-olate

5-allyl-5-(1-methylbutyl)-6-oxo-2-sulfanyl-pyrimidin-4-olate is a remarkable compound that falls under the category of pyrimidine derivatives. Pyrimidines are essential building blocks in biochemistry, notably in the formation of DNA and RNA. Here are some fascinating aspects of this compound:

  • Biological Significance: Compounds like 5-allyl-5-(1-methylbutyl)-6-oxo-2-sulfanyl-pyrimidin-4-olate can exhibit intriguing biological activities, providing insights into therapeutic applications. They may play roles in drug development and pharmaceutical research.
  • Unique Functional Groups: This compound contains both an allyl group and a sulfanylpyrimidine structure, which can potentially influence its reactivity and interaction with biological systems.
  • Potential Applications: Derivatives of pyrimidines are often investigated for their potential as antiviral, antibacterial, or anticancer agents. This compound could be an interesting candidate for exploring such properties.
  • Synthetic Interest: The synthesis of pyrimidine derivatives often involves multi-step reactions, and understanding these pathways can enhance synthetic strategies in organic chemistry.

As a chemistry student or scientist, one might appreciate the complexity and intrigue that molecules like this bring to the field. The study of compounds like 5-allyl-5-(1-methylbutyl)-6-oxo-2-sulfanyl-pyrimidin-4-olate opens doors to discovering new dimensions in medicinal chemistry and structural biology. In the words of a renowned chemist, "Every molecule has a story to tell; it's up to us to decipher it."


Overall, the exploration of such compounds not only broadens our understanding of chemical properties but also their possible applications in numerous fields!