Skip to main content

Caffeine-8-decylthioether

ADVERTISEMENT
Identification
Molecular formula
C18H30N4O2S
CAS number
74050-98-9
IUPAC name
8-decylsulfanyl-1,3,7-trimethyl-purine-2,6-dione
State
State
Solid at room temperature. This compound typically exists as a crystalline powder under standard conditions.
Melting point (Celsius)
125.00
Melting point (Kelvin)
398.15
Boiling point (Celsius)
583.00
Boiling point (Kelvin)
856.15
General information
Molecular weight
366.53g/mol
Molar mass
366.5310g/mol
Density
1.1004g/cm3
Appearence

Appearance: Caffeine-8-decylthioether appears as a crystalline solid under standard conditions. It typically forms white to off-white crystals or powder. The compound is not soluble in water but may dissolve in organic solvents.

Comment on solubility

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

The solubility of 8-decylsulfanyl-1,3,7-trimethyl-purine-2,6-dione in various solvents can be quite intriguing. It primarily depends on the hydrophobic and hydrophilic characteristics presented by its molecular structure. Here are some key points to consider:

  • Solvent Polarity: Generally, non-polar solvents such as hexane and heptane may enhance the solubility of this compound, given its aliphatic decyl chain. In contrast, polar solvents like water are likely to see low solubility levels.
  • Alkyl Chain Influence: The presence of the long decyl group tends to favor solubility in non-polar or low-polarity media.
  • Potential Applications: Due to its solubility characteristics, this compound could play a critical role in formulations such as pharmaceuticals or agrochemicals where solubility optimization is vital.

It can be summarized that the solubility behavior of 8-decylsulfanyl-1,3,7-trimethyl-purine-2,6-dione is influenced by the solvent’s polarity, the presence of the aliphatic chain, and its application potential.

Further studies could provide deeper insights into its precise solubility limits and conditions for optimal usage.

Interesting facts

Interesting Facts About 8-Decylsulfanyl-1,3,7-trimethyl-purine-2,6-dione

8-Decylsulfanyl-1,3,7-trimethyl-purine-2,6-dione is a compound that belongs to the purine family, which are crucial components in biochemistry. Here are some fascinating aspects of this compound:

  • Biological Significance: Purines like adenine and guanine are fundamental in the formation of nucleic acids, serving as essential building blocks for DNA and RNA.
  • Structure Diversity: The presence of a decylsulfanyl group and multiple methyl groups in its structure highlights the diversity possible within purine derivatives, which can lead to varied biological activities and properties.
  • Potential Applications: Compounds in this class are often explored for their pharmacological properties, including potential roles as anti-cancer agents, anti-inflammatory drugs, or in other therapeutic areas.
  • Research Interest: This specific compound represents an area of ongoing research into the modification of purine structures to enhance their efficacy and selectivity in biological applications.
  • Synthetic Pathways: The synthesis of such complex compounds requires advanced methodologies and an understanding of organic synthesis, showcasing the intricate techniques chemists use to manipulate molecular structures.

The study of 8-decylsulfanyl-1,3,7-trimethyl-purine-2,6-dione emphasizes the importance of structure-function relationships in medicinal chemistry, highlighting how subtle changes in molecular structure can lead to significant alterations in biological activity.

As one dives deeper into the world of purine derivatives, it's vital to appreciate the intricate balance between molecular design and biological functionality.

Synonyms
8-(Decylthio)caffeine
CAFFEINE, 8-(DECYLTHIO)-
8-(Decylthio)-caffeine
NSC 81489
8EI2N05P9W
NSC-81489
UNII-8EI2N05P9W
DTXSID80180490
1H-PURINE-2,6-DIONE, 8-(DECYLTHIO)-3,7-DIHYDRO-1,3,7-TRIMETHYL-
8-(DECYLTHIO)-3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE
RefChem:199226
DTXCID90102981
25837-26-7
8-decylsulfanyl-1,3,7-trimethylpurine-2,6-dione
NSC81489
SCHEMBL3098630
WLN: T56 BN DN FNVNVJ B1 CS10 F1 H1