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Thiamine (Vitamin B1)

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Identification
Molecular formula
C12H17N4OS
CAS number
59-43-8
IUPAC name
5-[[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one
State
State

At room temperature, thiamine is a solid, typically found in its salt form such as thiamine hydrochloride or thiamine mononitrate, both of which are solid states. It is stable under normal conditions but can degrade when exposed to high heat or alkaline conditions.

Melting point (Celsius)
246.00
Melting point (Kelvin)
519.00
Boiling point (Celsius)
287.00
Boiling point (Kelvin)
560.00
General information
Molecular weight
265.36g/mol
Molar mass
265.3550g/mol
Density
1.3000g/cm3
Appearence

Thiamine is typically found as a white crystalline powder with a slight characteristic odor. It is often marketed in the form of thiamine hydrochloride or thiamine mononitrate for supplements, which appear as white crystalline substances.

Comment on solubility

Solubility of 5-[[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one

The solubility of 5-[[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one can be an intriguing topic due to the presence of various functional groups within its structure. The molecule's solubility is influenced by several key factors, which include:

  • Polarity: The compound contains multiple polar functional groups, particularly the -OH group from the hydroxyethyl moiety, which can enhance its solubility in polar solvents such as water.
  • Hydrogen Bonding: The ability to form hydrogen bonds with solvent molecules can significantly affect its solubility. The hydroxyethyl group may contribute to favorable interactions with polar solvents.
  • Size and Steric Hindrance: The overall size of the molecule and the presence of bulky groups can inhibit solvation, potentially reducing solubility.

It is also important to consider:

  • The role of temperature: Solubility can increase with temperature for many compounds.
  • pH sensitivity: The solubility may vary depending on the pH of the solution, especially if the molecule can ionize.

In summary, the solubility of this compound is likely to be significantly influenced by its polar character and the ability to engage in hydrogen bonding. However, variations in solubility can be observed in different solvents, and empirical measurements would provide the most accurate insights.

Interesting facts

Interesting Facts About 5-[[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one

This complex compound is a fascinating example of modern synthetic organic chemistry, showcasing the interplay between various functional groups that contribute to its unique properties and potential applications. Here are some noteworthy aspects to consider:

  • Structural Diversity: The presence of both thiazole and pyrimidine rings highlights the compound's structural diversity. Such diversity often leads to interesting biological activities.
  • Potential Biological Activity: Many compounds similar to this one have been studied for their potential as antibacterial, antifungal, or antiviral agents, given the pharmacological relevance of thiazoles and pyrimidines in medicinal chemistry.
  • Synthetic Relevance: The method of synthesis for such compounds is a point of exploration in organic chemistry. Understanding how to construct complex molecules from simpler precursors is essential for drug development.
  • Role of Hydroxyethyl Group: The hydroxyethyl moiety may enhance solubility and facilitate interactions with biological targets, which is crucial in drug design.
  • Research Potential: Scientists continue to investigate various derivatives of this structure, aiming to optimize efficacy and reduce side effects. This often involves tweaking parameters like the substituents on the rings.

In summary, 5-[[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one is not just a chemical entity, but a gateway into the expansive world of synthetic chemistry and its implications in the field of medicine.

Synonyms
OXYTHIAMINE
136-16-3
Oxythiamin
oxythiamine(1+)
UNII-1MF36SYZ22
hydroxythiamin
1MF36SYZ22
OXYTHIAMINE ION
CHEBI:78249
OXYTHIAMINE CATION
BRN 4153910
Oxythiamine (Hydroxythiamin)
5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one
5-(2-Hydroxyethyl)-3-((4-hydroxy-2-methyl-5-pyrimidinyl)methyl)-4-methyl-thiazolium
UNII-WZJ9E9JTCY
Oxythiamine Hydrochloride
OXYTHIAMINE [MI]
Thiazolium, 5-(2-hydroxyethyl)-3-((4-hydroxy-2-methyl-5-pyrimidinyl)methyl)-4-methyl-
5-(2-hydroxyethyl)-4-methyl-3-[(2-methyl-4-oxo-1,4-dihydropyrimidin-5-yl)methyl]-1,3-thiazol-3-ium
Thiazolium, 3-((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-
THIAZOLIUM, 3-((3,4-DIHYDRO-2-METHYL-4-OXO-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-
EINECS 209-483-4
NSC 56348
5-(2-Hydroxyethyl)-3-(4-hydroxy-2-methylpyrimidin-5-ylmethyl)-4-methylthiazolium chloride
5-(2-hydroxyethyl)-4-methyl-3-((2-methyl-4-oxo-1,4-dihydropyrimidin-5-yl)methyl)-1,3-thiazol-3-ium
Oxythiamine . HCl
CHEMBL3305956
SCHEMBL13741267
DTXSID40929206
AKOS032954800
AKOS040733951
DB-240821
HY-107430
CS-0028461
G77655
Q27147706
3-[(3,4-Dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-thiazolium
5-(2-Hydroxyethyl)-4-methyl-3-((2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl)thiazol-3-ium
5-(2-hydroxyethyl)-4-methyl-3-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl]-1,3-thiazol-3-ium
Thiazolium, 3-((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, chloride (8CI)
Thiazolium, 3-((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, chloride (8CI)(9CI)