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Thiamine (Vitamin B1)

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Identification
Molecular formula
C12H17N4OS
CAS number
59-43-8
IUPAC name
1,2-dihydroxy-5-methylsulfanyl-pent-1-en-3-one
State
State

Solid at room temperature, found in crystalline form.

Melting point (Celsius)
248.00
Melting point (Kelvin)
521.15
Boiling point (Celsius)
545.00
Boiling point (Kelvin)
818.15
General information
Molecular weight
168.21g/mol
Molar mass
168.2070g/mol
Density
1.1820g/cm3
Appearence

Thiamine presents as white crystalline powder or as colorless crystals. It is odorless or nearly so and has a slight, characteristic taste.

Comment on solubility

Solubility of 1,2-Dihydroxy-5-methylsulfanyl-pent-1-en-3-one

The solubility of 1,2-dihydroxy-5-methylsulfanyl-pent-1-en-3-one, with the chemical formula C12H17N4OS, is influenced by its unique structure and functional groups. Understanding solubility is crucial for its applications, especially in biochemical and industrial contexts. Here are some key points to consider:

  • Hydroxyl Groups: The presence of two hydroxyl (–OH) groups typically enhances water solubility due to hydrogen bonding.
  • Methylsulfanyl Group: The methylsulfanyl (–S–CH3) group can introduce some lipophilicity, potentially decreasing overall solubility in water.
  • Enone Structure: The enone (–C≡C–C(=O)–) moiety adds complexity to the solubility characteristics, as the conjugated system can play a role in solvation interactions.

In practical terms, the solubility in water may be moderate due to the balancing effects of hydrophilic and hydrophobic regions. For laboratory applications, solubility in organic solvents (such as ethanol or DMSO) may be higher, facilitating its use in various chemical environments.

To summarize, the solubility of this compound can be best described as:

  1. Moderate in water due to hydrogen-bonding capabilities counteracted by hydrophobic groups.
  2. Higher in polar organic solvents, where both hydrogen bonding and solvation can occur more effectively.

Understanding these solubility attributes is essential for predicting its behavior in different chemical processes and applications.

Interesting facts

Interesting Facts about 1,2-dihydroxy-5-methylsulfanyl-pent-1-en-3-one

1,2-dihydroxy-5-methylsulfanyl-pent-1-en-3-one is a fascinating compound that showcases the rich diversity of organic chemistry. This compound belongs to a class of chemicals known for their potential biological activity, particularly in the realm of phytochemicals and natural products. Here are some captivating aspects related to this compound:

  • Sulfur's Role: The presence of the methylsulfanyl group is notable, as sulfur atoms often impart unique properties to organic molecules, such as improved reactivity and specific interactions with biological systems.
  • Bioactive Potential: Many compounds that feature hydroxyl groups, such as this one, are known to exhibit various biological activities. These activities can range from antioxidant properties to inhibition of certain enzymes.
  • Natural Occurrence: Compounds with similar structures are frequently found in nature, making them subjects of interest for researchers exploring natural product synthesis and extraction.
  • Applications in Synthesis: This compound could serve as an intermediate in the synthesis of more complex molecules, making it valuable in the field of synthetic organic chemistry.

As scientists delve deeper into the properties and applications of compounds like 1,2-dihydroxy-5-methylsulfanyl-pent-1-en-3-one, they often quote the importance of structural diversity in drug discovery: "The more structures we explore, the more possibilities we unlock." The ongoing research may help reveal new therapeutic avenues through this intriguing compound.

Synonyms
1-Penten-3-one, 1,2-dihydroxy-5-(methylthio)-
151169-51-6
DTXSID70274276
DTXCID00225756