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Thiamine hydrochloride

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Identification
Molecular formula
C12H18ClN4OS
CAS number
67-03-8
IUPAC name
2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethanol;chloride
State
State

At room temperature, thiamine hydrochloride is in a solid state.

Melting point (Celsius)
248.00
Melting point (Kelvin)
521.00
Boiling point (Celsius)
284.00
Boiling point (Kelvin)
557.00
General information
Molecular weight
337.28g/mol
Molar mass
337.2780g/mol
Density
1.2500g/cm3
Appearence

Thiamine hydrochloride typically appears as a white or almost white crystalline powder. It is odorless or may have a slight characteristic smell.

Comment on solubility

Solubility of 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethanol;chloride

The solubility of the compound 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethanol;chloride (C12H18ClN4OS) is primarily influenced by its molecular structure and functional groups. As a quaternary ammonium compound, it tends to exhibit high solubility in polar solvents due to the presence of the chloride ion, which can facilitate dissolution through ionic interactions.

Here are some factors that affect its solubility:

  • Polarity: The overall polarity of the molecule is significant; the thiazolium and pyrimidine rings can form hydrogen bonds and interact with solvent molecules.
  • Hydrogen Bonding: The presence of hydroxyl (-OH) and amino (-NH2) groups enhances the ability to form hydrogen bonds, promoting solubility in water.
  • Ionic Nature: The chloride ion can increase solubility in aqueous environments, indicating a favorable interaction with water molecules.
  • Temperature: Typically, solubility increases with temperature, which can cause the dissolution dynamics to favor the solvate formation of this compound.

In summary, this compound is expected to be soluble in water due to its ionic nature and the presence of polar functional groups. However, factors such as the specific solvent environment and temperature will play crucial roles in its actual solubility behavior.

Interesting facts

Interesting Facts about 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethanol; chloride

This intriguing compound is a member of the class of thiazoles and pyrimidines, which are significant in the pharmaceutical industry due to their therapeutic properties. Below are some fascinating insights regarding its structure and applications:

  • Pharmacological Relevance: Compounds containing thiazole and pyrimidine moieties are often explored for their biological activities. These structures can exhibit anti-cancer, anti-microbial, and anti-inflammatory properties, making them valuable in drug development.
  • Hybrid Design: This compound showcases a **hybrid structure**, incorporating both thiazolium and pyrimidine frameworks. Such designs can enhance biological activity and offer multi-target effects against various diseases.
  • Mechanism of Action: It is believed that compounds like this could interact with specific biological pathways, potentially acting as enzyme inhibitors or receptor modulators, which are crucial for treating various health conditions.
  • Research Potential: Ongoing studies aim to uncover not only the canonical uses of such compounds but also to explore novel applications in medicinal chemistry and drug formulation.
  • Future Innovations: With advancements in **combinatorial chemistry**, creating analogs of this compound can lead to enhanced efficacy and reduced side effects, paving the way for new therapies.

As we continue to explore the potential of this compound, its hybrid nature and intricate structure provide an exciting avenue for research and application in the fields of medicinal chemistry and drug discovery.

Synonyms
vitamin B1
59-43-8
Thiamine chloride
Thiamine monochloride
Aneurine
Vitaneurin
Bethiamin
Oryzanin
Tiamina
Beivon
Apatate drape
3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride
Thiacoat
Thiaminum
Betabion
thiamine(1+) chloride
Vitamin b-1
Thiaminum [INN-Latin]
Tiamina [INN-Spanish]
CCRIS 5823
HSDB 220
X66NSO3N35
EINECS 200-425-3
CHEBI:33283
Thiamine (INN)
UNII-X66NSO3N35
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride
Oryzanine
THIAMINE [INN]
Thiamine (Vit B1)
3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium chloride
Thiamine, chloride
Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-chloride
B-Amin
Thiamine [INN:BAN]
3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium chloride
DTXSID2023648
Thiamine hydrochloride;3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2- hydroxyethyl)-4-methylthiazolium chloride;3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride
NSC36226
Oryzenin
MFCD00044586
Vitamin B1 (TN)
Vitamin B1 ,(S)
THIAMINE [HSDB]
THIAMINE [MI]
THIAMINE [VANDF]
THIAMINE [WHO-DD]
3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydrox yethyl)-4-methylthiazolium chloride
CHEMBL1588
Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl- chloride
Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-chloride
SCHEMBL10074
VITAMIN B1 [VANDF]
MLS001304099
THIAMINE [ORANGE BOOK]
MSK1504
VITAMIN B1 [GREEN BOOK]
HMS2233P06
HMS3372N17
HY-A0100
AKOS015960561
CS-7793
AC-11683
AS-15935
SMR000718788
DB-017724
NS00099891
D08580
EN300-257540
Q27115611
Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl- chloride (1:1)
Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, chloride (1:1)