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Theobromine

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Identification
Molecular formula
C7H8N4O2
CAS number
83-67-0
IUPAC name
8-(2-aminoethylsulfanyl)-1,3,7-trimethyl-purine-2,6-dione
State
State

Theobromine is typically solid at room temperature. It is relatively stable and not prone to rapid sublimation or melting under normal ambient conditions.

Melting point (Celsius)
357.00
Melting point (Kelvin)
630.15
Boiling point (Celsius)
290.00
Boiling point (Kelvin)
563.15
General information
Molecular weight
180.16g/mol
Molar mass
180.1640g/mol
Density
1.5000g/cm3
Appearence

Theobromine is a colorless or white crystalline powder. When in pure form, it can appear as elongated prisms. It’s often found in cocoa products and imparts a characteristic bitter taste that is commonly associated with dark chocolate.

Comment on solubility

Solubility of 8-(2-aminoethylsulfanyl)-1,3,7-trimethyl-purine-2,6-dione

The solubility of 8-(2-aminoethylsulfanyl)-1,3,7-trimethyl-purine-2,6-dione, often referred to by its common name, is influenced by several factors including its structural characteristics and intermolecular interactions.

  • Polarity: This compound exhibits a degree of polarity due to the presence of amino and sulfanyl groups, which enhances its ability to interact with polar solvents.
  • Hydrogen Bonding: The presence of functional groups like amino (-NH2) can participate in hydrogen bonding, promoting solubility in water.
  • Solvent Compatibility: It tends to be more soluble in solvents that can engage in dipole-dipole interactions.
  • Temperature Effects: Like many compounds, its solubility may increase with an increase in temperature, highlighting the thermal influence on molecular interactions.

In conclusion, while the exact solubility of 8-(2-aminoethylsulfanyl)-1,3,7-trimethyl-purine-2,6-dione in specific solvents is subject to experimental determination, it is reasonable to expect enhanced solubility in polar solvents. Therefore, considerations of solubility should include both the chemical structure and the environmental conditions.

Interesting facts

Interesting Facts about 8-(2-Aminoethylsulfanyl)-1,3,7-trimethyl-purine-2,6-dione

This compound, often recognized in scientific circles for its complex structure and biological significance, is a derivative of purine that has garnered attention in various fields, particularly in biochemistry and pharmacology. It exhibits several fascinating characteristics:

  • Biological Importance: This molecule plays an essential role in numerous biological processes. Its unique structure allows it to participate in enzyme active sites, contributing to important biochemical reactions.
  • Potential Therapeutic Applications: Studies have shown that this compound may exhibit various pharmacological effects. Its derivatives are researched for their potential use in developing medication for conditions such as cardiovascular diseases and cancer.
  • Amino Group Functionality: The presence of the aminoethylsulfanyl group imparts unique reactivity to the compound. This functional group can enhance the molecule's ability to interact with biological targets.
  • Synthesis and Challenges: The synthesis of this molecule involves intricate multi-step chemical reactions, which may pose challenges in terms of yield and purity. Such complexities make it an intriguing subject for synthetic chemists.
  • Research Opportunities: Ongoing research is continuously uncovering more about this compound's mechanism of action, making it a hot topic in current scientific literature. Its diverse interactions within biological systems open avenues for innovative studies.

As one delves into the intricacies of 8-(2-aminoethylsulfanyl)-1,3,7-trimethyl-purine-2,6-dione, it becomes evident that this compound is not just a simple chemical entity but a gateway to understanding much larger biological phenomena. Its study contributes to the broader narrative of chemistry's impact on health and medicine.

Synonyms
6493-24-9
CAFFEINE, 8-((2-AMINOETHYL)THIO)-
8-((2-Aminoethyl)thio)caffeine
BRN 0385020
DTXSID00215233
4-26-00-02736 (Beilstein Handbook Reference)
DTXCID00137724
8-(2-aminoethylsulfanyl)-1,3,7-trimethylpurine-2,6-dione
SCHEMBL3552988
AG-205/07896044