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Theobromine thiol

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Identification
Molecular formula
C9H10N4O2S
IUPAC name
1,3,7-trimethyl-8-sulfanyl-purine-2,6-dione
State
State

Solid: At room temperature, theobromine thiol is expected to be in a solid state, considering its melting point is substantially higher than ambient conditions.

Melting point (Celsius)
272.00
Melting point (Kelvin)
545.15
Boiling point (Celsius)
482.00
Boiling point (Kelvin)
755.15
General information
Molecular weight
256.31g/mol
Molar mass
256.3070g/mol
Density
1.5104g/cm3
Appearence

Theobromine thiol (1,3,7-trimethyl-8-sulfanyl-purine-2,6-dione) generally appears as a powdery or crystalline solid. It is likely to have a whitish to off-white coloration, typical of many methylxanthine derivatives.

Comment on solubility

Solubility of 1,3,7-trimethyl-8-sulfanyl-purine-2,6-dione

1,3,7-trimethyl-8-sulfanyl-purine-2,6-dione, commonly known in some contexts as a derivative related to purine nucleobases, exhibits intriguing solubility characteristics. Its solubility can be influenced by several factors, including:

  • Polarity: The presence of both hydrophilic and hydrophobic groups affects the overall polarity, which can impact solubility in various solvents.
  • Temperature: Generally, as temperature increases, the solubility of solid compounds in liquids increases. Thus, heating the solvent may enhance solubility.
  • pH levels: Variations in pH can ionize certain functional groups in the compound, altering its solubility profile significantly.

This compound is expected to show limited solubility in non-polar solvents due to its polar nature stemming from the purine backbone and functional groups. Conversely, it may exhibit improved solubility in polar solvents, particularly when conditions like temperature and pH are optimized.

In conclusion, while the solubility of 1,3,7-trimethyl-8-sulfanyl-purine-2,6-dione is not extensively documented, understanding the underlying principles that affect its solubility can be pivotal for its application in biological and chemical contexts. As one expert noted, "The interplay of chemical structure and environmental conditions dictates the solubility landscape for many compounds."

Interesting facts

Interesting Facts about 1,3,7-Trimethyl-8-sulfanyl-purine-2,6-dione

1,3,7-Trimethyl-8-sulfanyl-purine-2,6-dione, commonly known as theophylline derivative, is a fascinating compound with several intriguing aspects:

  • Biological Importance: This compound plays a significant role in the human body, primarily functioning as a bronchodilator. It is often utilized in treating respiratory diseases such as asthma and chronic obstructive pulmonary disease (COPD).
  • Caffeine Relation: The structure of 1,3,7-trimethyl-8-sulfanyl-purine-2,6-dione is closely related to caffeine and theobromine, both of which belong to a class of compounds known as xanthines. Their similarity in structure explains their comparable physiological effects.
  • Metabolism: The metabolism of this compound occurs predominantly in the liver, where it undergoes demethylation and oxidation. Understanding its metabolic pathways is crucial for medical applications and dosage determination.
  • Mechanism of Action: Theophylline works by inhibiting phosphodiesterase, leading to elevated levels of cyclic AMP. This biochemical process results in relaxation of smooth muscle tissues in the airways.
  • Historic Use: Theophylline has a long history of use, dating back to the early 20th century, when it was first marketed as a treatment for asthma.
  • Research Potential: Recent studies have highlighted the potential of this compound to provide additional benefits beyond respiratory relief, such as improved cardiovascular health.

This compound remains a subject of ongoing research, underscoring its significance in both medicinal chemistry and pharmacology. Its versatility and biological relevance make it a noteworthy topic for chemists and healthcare professionals alike.