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3-acetyl-2-mercapto-4H-imidazol-5-one

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Identification
Molecular formula
C5H6N2O2S
CAS number
null
IUPAC name
3-acetyl-2-sulfanyl-4H-imidazol-5-one
State
State

At room temperature, 3-acetyl-2-mercapto-4H-imidazol-5-one is typically found in a solid state. This allows for ease of handling and storage under normal laboratory conditions.

Melting point (Celsius)
205.00
Melting point (Kelvin)
478.00
Boiling point (Celsius)
326.00
Boiling point (Kelvin)
599.00
General information
Molecular weight
172.19g/mol
Molar mass
172.1900g/mol
Density
1.4600g/cm3
Appearence

The compound typically appears as a white to off-white solid. It may possess crystalline characteristics depending on the specific synthesis and purification methods used. This appearance makes it easily identifiable during laboratory handling and measurement.

Comment on solubility

Solubility of 3-acetyl-2-sulfanyl-4H-imidazol-5-one

When discussing the solubility of 3-acetyl-2-sulfanyl-4H-imidazol-5-one, we consider several key factors:

  • Polarity: The presence of both a carbonyl group (from the acetyl group) and a thiol group (from the sulfanyl feature) contributes to the overall polarity of the molecule, enhancing its ability to interact with polar solvents.
  • Water Solubility: Generally, compounds containing sulfur and oxygen functionalities exhibit varying degrees of solubility in water. However, specific solubility can depend on factors such as temperature and pH.
  • Solvent Interaction: This compound may show increased solubility in organic solvents such as ethanol and dimethyl sulfoxide (DMSO), which facilitate solute-solvent interactions due to their ability to stabilize polar groups.

In conclusion, while one might expect that 3-acetyl-2-sulfanyl-4H-imidazol-5-one may demonstrate reasonable solubility in polar solvents, the precise solubility profile requires empirical measurement for confirmation. Experimentation or reference to solubility databases can provide more definitive insights.

Interesting facts

Interesting Facts about 3-acetyl-2-sulfanyl-4H-imidazol-5-one

3-acetyl-2-sulfanyl-4H-imidazol-5-one is a fascinating organic compound that belongs to the imidazole family, which is notable for its presence in various biological systems and its role in medicinal chemistry. Here are some interesting aspects of this compound:

  • Biosynthetic Importance: This compound is a derivative of imidazole, a core structure found in histidine and many biologically active molecules. Imidazole rings are essential for numerous biological functions, including enzyme catalysis and protein structure.
  • Pharmacological Properties: Compounds that contain imidazole derivatives have shown a wide range of pharmacological activities. They often serve as scaffolds for developing new drugs targeting diseases such as cancer, fungal infections, and hypertension.
  • Sulfur's Role: The presence of the sulfanyl group in this compound is noteworthy. Sulfur atoms in organic compounds can introduce unique chemical reactivity and enhance biological activity, making sulfanyl groups attractive in drug design.
  • Chemical Versatility: 3-acetyl-2-sulfanyl-4H-imidazol-5-one can participate in various chemical reactions, such as nucleophilic substitutions and electrophilic additions, expanding its utility in synthetic organic chemistry.
  • Structure-Activity Relationship (SAR): Researchers often study the relationship between the chemical structure of compounds like 3-acetyl-2-sulfanyl-4H-imidazol-5-one and their biological activity. This understanding can lead to the optimization of drug candidates.

In conclusion, 3-acetyl-2-sulfanyl-4H-imidazol-5-one is a compound with diverse biological implications and synthetic applications. As we learn more about such compounds, we continue to unlock their potential in pharmaceuticals and chemical research.