1-allyl-4-isobutyl-2-thioxoimidazolidin-5-one

Identification

Molecular formula

C₁₁H₁₆N₂OS

CAS number

IUPAC name

1-allyl-4-isobutyl-2-sulfanyl-4H-imidazol-5-one

State

At room temperature, the compound is typically found in a solid state, often as a crystalline powder.

Melting point (Celsius)

145.00

Melting point (Kelvin)

418.20

Boiling point (Celsius)

310.50

Boiling point (Kelvin)

583.70

General information

Molecular weight

227.34g/mol

Molar mass

227.3390g/mol

Density

1.1500g/cm³

Appearence

The compound appears as a colorless to pale yellow crystalline solid, depending on the purity and form. It typically exhibits a slightly pungent odor characteristic of organosulfur compounds.

Comment on solubility

Solubility of 1-allyl-4-isobutyl-2-sulfanyl-4H-imidazol-5-one

The solubility of 1-allyl-4-isobutyl-2-sulfanyl-4H-imidazol-5-one in various solvents can be intriguing due to its unique molecular structure. Here are some key points regarding its solubility:

The compound is generally considered to be **moderately soluble** in polar solvents such as water and ethanol, mainly due to the presence of the sulfanyl (-SH) group that can form hydrogen bonds.
In non-polar solvents like hexane or toluene, the solubility is expected to be **low** because of the hydrophobic character imparted by the isobutyl group.
Factors that may affect solubility include temperature, which can enhance solubility through increased molecular motion, and pH, particularly with compounds that can ionize under different conditions.

It is important to note that the **structure-activity relationship** plays a significant role; hence, the solubility can vary notably depending on the molecular interactions involved. This makes the study of its solubility not only crucial for practical applications but also intriguing from a scientific perspective.

Interesting facts

Interesting Facts about 1-Allyl-4-isobutyl-2-sulfanyl-4H-imidazol-5-one

1-Allyl-4-isobutyl-2-sulfanyl-4H-imidazol-5-one is a fascinating compound that falls within the category of imidazole derivatives, which are known for their diverse biological activities. Here are some engaging aspects of this compound:

Biological Significance: Many imidazole derivatives, including this compound, exhibit important pharmacological properties. They have been studied for their potential roles as antifungal, antimicrobial, and even anticancer agents.
Synthetic Pathways: The synthesis of this compound often involves intriguing reactions, such as nucleophilic substitutions and formation of heterocycles. Understanding these reactions can provide insight into green chemistry principles and new methodologies in organic synthesis.
Presence in Nature: Imidazole derivatives are present in various natural products, especially in biologically active molecules. They are crucial in metabolic processes, making compounds like this one relevant to medicinal chemistry and drug development.
Functional Groups: The presence of both the allyl and isobutyl groups contributes to the unique reactivity of this compound. These groups can influence the compound's interactions with biological systems, aiding in the design of more effective therapeutics.
Research Applications: Ongoing research often explores the modification of imidazole compounds to enhance their efficacy or reduce toxicity. This highlights the importance of compounds like 1-allyl-4-isobutyl-2-sulfanyl-4H-imidazol-5-one in pharmacology and medicinal chemistry.

In summary, 1-allyl-4-isobutyl-2-sulfanyl-4H-imidazol-5-one exemplifies the significance of imidazole derivatives in modern science. Its unique structure, potential biological activities, and relevance in synthetic chemistry make it a compound of great interest for further exploration and study.