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Thiamine chloride

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Identification
Molecular formula
C12H17ClN4OS
CAS number
67-03-8
IUPAC name
5-[[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one;chloride
State
State

At room temperature, thiamine chloride is typically in a solid state. Due to its hygroscopic nature, it should be stored in a tightly sealed container in order to prevent clumping and maintain its powder form.

Melting point (Celsius)
248.00
Melting point (Kelvin)
521.15
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
337.28g/mol
Molar mass
337.2800g/mol
Density
1.2000g/cm3
Appearence

Thiamine chloride, commonly known as Vitamin B1 chloride, typically appears as a white or almost white crystalline powder. It is very hygroscopic (absorbs moisture from the air) and can also appear as a crystalline solid due to hygroscopic clumping.

Comment on solubility

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

The solubility of 5-[[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one;chloride presents some intriguing characteristics that are worth exploring. Factors influencing solubility include the compound's structural features and the nature of its ionic components. Here are some key points to consider:

  • Polarity: The presence of the hydroxyethyl group contributes to the molecule's overall polarity, which may enhance its solubility in polar solvents.
  • Ionic Nature: As a chloride salt, the ionic Cl- can improve solubility in aqueous solutions.
  • Hydrogen Bonding: The potential for hydrogen bonding due to the -OH group may facilitate interactions with water molecules, further enhancing solubility.
  • pH Dependence: Solubility can vary with pH, particularly in biological systems, affecting drug bioavailability.

In summary, the solubility of this compound hinges on a combination of its ionic nature, polar characteristics, and the ability to form hydrogen bonds. Specialists often remark that “the solubility profile can significantly impact pharmacological activity,” highlighting the necessity for thorough solubility assessments in practical applications.

Interesting facts

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

This compound is quite fascinating due to its unique structure and potential applications in various fields. Here are some remarkable aspects:

  • Multi-functional Structure: The compound contains both a thiazolium moiety and a pyrimidinone scaffold, showcasing a rich chemical diversity. This multifunctionality may contribute to its biological activity.
  • Biological Significance: Compounds with heterocyclic structures, like pyrimidines and thiazoles, are known for their roles in pharmaceuticals. They often exhibit various types of biological activities, including anti-inflammatory and anti-cancer properties.
  • Potential as a Drug Candidate: Due to its structural attributes, this compound may serve as a lead compound in drug discovery, especially in the realm of oncology and infectious diseases.
  • Natural Product Inspiration: Many synthetic compounds like this one are inspired by natural products or metabolites that have proven pharmacological benefits. The exploration of such compounds can lead to novel therapeutic agents.

As a chemical scientist or student, understanding compounds like this helps in grasping the intricacies of medicinal chemistry and drug design. The ongoing research in this area reveals endless possibilities for innovative solutions to healthcare challenges. Always remember, as Albert Einstein once said, "The important thing is not to stop questioning. Curiosity has its own reason for existence." So, stay curious about the chemistry around you!

Synonyms
Hydroxythiamine
Oxythiamine chloride
582-36-5
4-Hydroxythiamine
Oxythiamine (chloride)
WZJ9E9JTCY
Thiazolium,3-[(3,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-
UNII-WZJ9E9JTCY
5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one;chloride
NSC-56348
EINECS 209-483-4
NSC 56348
Oxythiamine Hydrochloride
OXYTHIAMINE [MI]
5-(2-Hydroxyethyl)-3-(4-hydroxy-2-methylpyrimidin-5-ylmethyl)-4-methylthiazolium chloride
SCHEMBL244784
SCHEMBL15065461
CHEBI:78246
NSC56348
AKOS030241446
FO29785
HY-107430B
CS-0910315
NS00042525
Q27147704
3-((1,4-DIHYDRO-2-METHYL-4-OXO-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM CHLORIDE
5-(2-HYDROXYETHYL)-3-((4-HYDROXY-2-METHYL-5-PYRIMIDINYL)METHYL)-4-METHYLTHIAZOLIUM CHLORIDE
5-(2-Hydroxyethyl)-4-methyl-3-((2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl)thiazol-3-ium chloride
5-(2-hydroxyethyl)-4-methyl-3-[(2-methyl-4-oxo-1,4-dihydropyrimidin-5-yl)methyl]-1,3-thiazol-3-ium chloride
5-[2-Hydroxyethyl]-3-[4-hydroxy-2-methyl-5-pyrimidinylmethyl]-4-methylthiazolium chloride hydrochloride
Thiazolium, 3-((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, chloride
Thiazolium,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride