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Thiamine (Vitamin B1)

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Identification
Molecular formula
C12H17N4OS2
CAS number
59-43-8
IUPAC name
N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldisulfanyl)but-1-enyl]formamide
State
State

At room temperature, Thiamine is typically in a solid state. It is commonly available as a part of multivitamin supplements and in fortified foods.

Melting point (Celsius)
246.00
Melting point (Kelvin)
519.00
Boiling point (Celsius)
256.00
Boiling point (Kelvin)
529.00
General information
Molecular weight
337.44g/mol
Molar mass
337.4390g/mol
Density
1.3020g/cm3
Appearence

Thiamine, commonly known as Vitamin B1, typically appears as a white crystalline substance. It can also have a pale yellow hue. The compound is known for its stability in dry form, but it can degrade when exposed to moisture, heat, and light.

Comment on solubility

Solubility of N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldisulfanyl)but-1-enyl]formamide (C12H17N4OS2)

Understanding the solubility of this complex compound is essential for its applications in various chemical contexts. The solubility of N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldisulfanyl)but-1-enyl]formamide can be influenced by several factors, including:

  • Polarity: This compound contains polar functional groups such as an amino group and a hydroxyl group, which can enhance solubility in polar solvents like water.
  • Hydrophobic Interactions: The presence of hydrophobic chains, such as the propyldisulfanyl moiety, may limit solubility in water, particularly at higher concentrations.
  • pH Sensitivity: The solubility may vary significantly with pH due to the ionization of the amino and hydroxyl groups, affecting its overall charge and solubility profile.
  • Temperature Effects: As with many compounds, increasing the temperature can enhance solubility by providing energy to overcome intermolecular forces.

In general, it is often said, "Like dissolves like," indicating that the solubility of organic compounds can depend on their structure. Thus, while N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldisulfanyl)but-1-enyl]formamide may be readily soluble in certain polar solvents, it may present challenges in achieving high solubility in more non-polar environments.

Interesting facts

Interesting Facts about N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldisulfanyl)but-1-enyl]formamide

This compound is a fascinating member of the realm of pharmaceuticals, showcasing an intricate structure that encompasses both medicinal and chemical significance. Here are some exciting details:

  • Bioactivity: The unique combination of its nitrogen-based pyrimidine ring and sulfur-containing side chain suggests potential activity in various biological systems, making it an interesting candidate for further pharmacological studies.
  • Structural Diversity: With a design that integrates multiple functional groups, such as amines and hydroxyls, this compound exemplifies the versatility in organic chemistry, highlighting how subtle changes in structure can lead to changes in reactivity and properties.
  • Applications: Its complex structure and functional capabilities hint at possible applications in drug development, particularly in targeting specific enzymes or pathways in disease mechanisms.
  • Symbolic Meaning: The dual presence of an amino group and a hydroxyl group underscores the importance of hydrogen bonding interactions, which can play a pivotal role in molecular recognition processes.
  • Future Research: Given the unique arrangement of atoms and functional groups, researchers may explore its application in developing new therapies, particularly in the fields of cancer and infectious diseases.

In summary, N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldisulfanyl)but-1-enyl]formamide represents the potential intersection of synthesis, biology, and therapeutic discovery. Its structural complexity invites deeper exploration and understanding, paving the way for innovative scientific advancements.

Synonyms
prosultiamine
59-58-5
CHEMBL2361888
SB58669
NS00034190
(Z)-N-((4-amino-2-methylpyrimidin-5-yl)methyl)-N-(5-hydroxy-3-(propyldisulfanyl)pent-2-en-2-yl)formamide