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Thiopentobarbital

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Identification
Molecular formula
C11H16N2O2S
CAS number
77-25-6
IUPAC name
5-allyl-5-isobutyl-2-sulfanyl-1H-pyrimidine-4,6-dione
State
State

At room temperature, thiopentobarbital is typically a solid. However, when used in medical or laboratory settings, it is often prepared as a solution or suspension.

Melting point (Celsius)
161.00
Melting point (Kelvin)
434.15
Boiling point (Celsius)
140.00
Boiling point (Kelvin)
413.15
General information
Molecular weight
266.36g/mol
Molar mass
266.3580g/mol
Density
1.3900g/cm3
Appearence

Thiopentobarbital typically appears as white to off-white crystalline powder. It may also be available in a powdered form that is intended for reconstitution in a suitable solvent. The compound may have a slight odor depending on its state of purity and storage conditions.

Comment on solubility

Solubility of 5-allyl-5-isobutyl-2-sulfanyl-1H-pyrimidine-4,6-dione

The solubility of 5-allyl-5-isobutyl-2-sulfanyl-1H-pyrimidine-4,6-dione can be understood through various factors that influence how this compound interacts with solvents and solutions. Here are some key points to consider:

  • Polar vs. Nonpolar Solvents: The compound's structure includes both polar and nonpolar characteristics, making it more soluble in polar solvents compared to nonpolar solvents.
  • Functional Groups: The presence of the sulfanyl group can enhance interactions with solvents, affecting its overall solubility. Sulfanyl groups can form hydrogen bonds which may increase solubility in polar solvents.
  • Temperature Dependence: As with many organic compounds, solubility can increase with temperature; thus, higher temperatures may improve solubility in suitable solvents.
  • Molecular Interactions: The interaction between the molecule and the solvent is a determining factor for solubility. The presence of functional groups that can participate in dipole-dipole interactions or hydrogen bonding often enhances solubility.

In summary, while predicting the exact solubility of 5-allyl-5-isobutyl-2-sulfanyl-1H-pyrimidine-4,6-dione necessitates experimental validation, its unique molecular features suggest it has an improved solubility profile in polar solvents due to the ability to participate in various intermolecular interactions. Understanding these interactions is crucial for effectively utilizing this compound in chemical applications.

Interesting facts

Interesting Facts about 5-allyl-5-isobutyl-2-sulfanyl-1H-pyrimidine-4,6-dione

The compound 5-allyl-5-isobutyl-2-sulfanyl-1H-pyrimidine-4,6-dione belongs to a fascinating class of organic compounds known for their unique structures and potential applications. Here are some intriguing insights about this molecule:

  • Structural Diversity: This compound features a pyrimidine ring, a nitrogen-containing heterocycle renowned for its presence in various biologically significant molecules, including nucleobases.

  • Sulfanyl Group: The presence of the sulfanyl group (–SH) adds intriguing chemical reactivity, offering pathways for nucleophilic substitutions and enhancing the compound's potential for further functionalization.

  • Allied Versatility: The *allyl* and *isobutyl* groups not only provide steric hindrance but also impart distinct electronic properties, influencing how the molecule interacts with other substances.

  • Pharmacological Potential: Compounds with similar pyrimidine structures are often evaluated for their pharmacological properties. There is a possibility that this specific compound could serve as a lead structure in drug design.

  • Research Interest: Ongoing studies are exploring the reactivity and synthesis of such multi-functionalized pyrimidines, highlighting their potential in medicinal chemistry and material science.

In conclusion, 5-allyl-5-isobutyl-2-sulfanyl-1H-pyrimidine-4,6-dione is more than just a chemical compound; it represents a confluence of unique structural features and potential applications that make it a subject of keen interest for chemists and researchers alike.