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Caffeine

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Identification
Molecular formula
C8H10N4O2
CAS number
58-08-2
IUPAC name
1,3,7-trimethyl-6-thioxo-purin-2-one
State
State
Caffeine exists as a solid at room temperature, typically presented as a powder or granules.
Melting point (Celsius)
238.00
Melting point (Kelvin)
511.15
Boiling point (Celsius)
178.00
Boiling point (Kelvin)
451.15
General information
Molecular weight
194.19g/mol
Molar mass
194.1940g/mol
Density
1.2300g/cm3
Appearence
Caffeine usually appears as a white, odorless, crystalline powder or silky needles, with a distinctly bitter taste.
Comment on solubility

Solubility of 1,3,7-trimethyl-6-thioxo-purin-2-one (C8H10N4O2)

The compound 1,3,7-trimethyl-6-thioxo-purin-2-one exhibits unique solubility characteristics that are important for its applications and interactions:

  • Solvent Dependence: This compound generally shows variable solubility depending on the solvent used. Common solvents include water, ethanol, and dimethyl sulfoxide (DMSO).
  • Polarity Influence: With its non-polar methyl groups, the overall structure hints at limited solubility in polar solvents such as water, while potentially being more soluble in organic solvents.
  • pH Effects: The solubility can also be affected by the pH of the solution, with acidic conditions possibly enhancing dissolution rates.
  • Temperature Factors: Increased temperature typically boosts solubility for many organic compounds; therefore, solubility tests at varying temperatures are valuable for practical use.

In summary, while 1,3,7-trimethyl-6-thioxo-purin-2-one may exhibit limited solubility in water, its behavior in organic solvents and response to environmental conditions can lead to enhanced dissolving properties. Understanding these factors is crucial for applications in biochemical contexts where solubility directly impacts functionality.

Interesting facts

Interesting Facts about 1,3,7-Trimethyl-6-thioxo-purin-2-one

1,3,7-Trimethyl-6-thioxo-purin-2-one, commonly known as theobromine, is a fascinating compound with a rich history and several intriguing characteristics. Here are some notable points about this unique compound:

  • Natural Occurrence: Theobromine is primarily found in cacao beans, making it a key component of chocolate. In fact, it is one of the compounds that contribute to the delightful effects of chocolate consumption!
  • Biological Significance: Theobromine acts as a mild stimulant and has been shown to have various health benefits, including potential cardiovascular advantages and improved mood enhancement due to its ability to increase serotonin levels.
  • Similar Structure: It shares structural similarities with caffeine, another well-known methylxanthine. Both compounds belong to the same class and exhibit similar pharmacological properties, though their effects on the human body differ slightly.
  • Therapeutic Uses: Theobromine has been researched for its potential in treating conditions such as asthma, as it helps to relax the bronchi and improve airflow to the lungs.
  • Flavor Profile: Besides its stimulating effects, theobromine is also recognized for its bitter flavor, which plays a role in the overall taste of chocolate products.
  • Animal Toxicity: While theobromine is generally safe for humans, it can be toxic to certain animals, especially dogs and cats. This is due to their slow metabolism of the compound, leading to potential poisoning.

In summary, 1,3,7-trimethyl-6-thioxo-purin-2-one is not just a compound with interesting chemical properties; it also has a significant cultural and dietary impact. As a scientist, exploring its role in food chemistry and its physiological effects can open avenues for further research and practical applications in health and nutrition.

Synonyms
6-Thiocaffeine
13182-58-6
1,3,7-trimethyl-6-sulfanylidenepurin-2-one
2H-Purin-2-one, 1,3,6,7-tetrahydro-1,3,7-trimethyl-6-thioxo-
M & B 6227
CAFFEINE, 6-THIO-
1,3,7-trimethyl-6-thioxo-2-oxopurine
BRN 0205182
SCHEMBL9257690
CHEMBL4591369
DTXSID70157217
PYUDRFSIKNBDQS-UHFFFAOYSA-N
AKOS015905618
1,3,7-Trimethyl-6-thioxo-1,3,6,7-tetrahydro-purin-2-one
1,3,7-Trimethyl-6-thioxo-1,3,6,7-tetrahydro-2H-purin-2-one #