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Thiobarbiturate

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Identification
Molecular formula
C10H14N2O2S
CAS number
6938-74-5
IUPAC name
5-ethyl-5-sec-butyl-2-sulfanyl-1H-pyrimidine-4,6-dione
State
State

This compound exists as a solid at room temperature. It is typically stable under standard conditions but should be stored away from strong oxidizing agents to preserve its chemical integrity. It does not evaporate or sublime significantly at room temperature.

Melting point (Celsius)
160.00
Melting point (Kelvin)
433.15
Boiling point (Celsius)
330.00
Boiling point (Kelvin)
603.15
General information
Molecular weight
214.30g/mol
Molar mass
214.2990g/mol
Density
1.4600g/cm3
Appearence

The compound typically appears as a white crystalline powder. It is often odorless and has a slightly bitter taste, which is characteristic of many barbiturate derivatives. The crystalline nature allows it to be visually distinguished by its clear, defined, and sharp-edged crystal structure.

Comment on solubility

Solubility of 5-ethyl-5-sec-butyl-2-sulfanyl-1H-pyrimidine-4,6-dione

The solubility of 5-ethyl-5-sec-butyl-2-sulfanyl-1H-pyrimidine-4,6-dione is a particularly interesting aspect of this compound's chemistry. Many factors can influence its solubility, including:

  • Molecular Structure: The presence of ethyl and sec-butyl groups may affect hydrophobic interactions in solution.
  • Functional Groups: The sulfanyl (-SH) group can enhance solubility due to its potential for hydrogen bonding and polar interactions.
  • Solvent Type: Solubility can widely differ depending on whether the solvent is polar (like water) or non-polar (like hexane).

In general, one might expect moderate solubility in organic solvents due to the compound's hydrophobic aliphatic alkyl chains. However, it is essential to note that while compounds with polar functional groups typically exhibit increased solubility in polar solvents, the bulkiness of the substituents may hinder solvation.

As a result, when assessing solubility, one must consider the balance of these factors. Some researchers quote that "solubility is the key to understanding the bioavailability and reactivity of chemical compounds," emphasizing the vital role solubility plays in both laboratory and practical applications.

In conclusion, while precise solubility data may vary, the structural intricacies of 5-ethyl-5-sec-butyl-2-sulfanyl-1H-pyrimidine-4,6-dione reveal a complex relationship with different solvent systems, making it an intriguing compound for further study.

Interesting facts

Interesting Facts about 5-ethyl-5-sec-butyl-2-sulfanyl-1H-pyrimidine-4,6-dione

The compound 5-ethyl-5-sec-butyl-2-sulfanyl-1H-pyrimidine-4,6-dione showcases the fascinating interplay between organic chemistry and medicinal applications. This compound belongs to the pyrimidine family, a class of molecules that are integral to both biological systems and pharmaceuticals.

Key Features:

  • Pyrimidine Derivative: As a derivative of pyrimidine, it participates in a variety of chemical reactions and can act as an essential building block in drug discovery.
  • Sulfanyl Group: The presence of the sulfanyl (-SH) group makes it a potential candidate for various biochemical applications, including enzyme inhibition and as a precursor for more complex sulfur-containing compounds.
  • Substituents Impact: The ethyl and sec-butyl groups influence the compound's sterics and electronics, modifying its reactivity and interaction with biological targets.

One of the most exciting aspects of this compound is its potential role in medicinal chemistry. Compounds like this are often designed to target specific systems in the human body, such as:

  1. Antimicrobial Activity: Pyrimidine derivatives are often explored for their ability to act against bacterial infections.
  2. Amino Acid Metabolism: Certain derivatives can influence amino acid synthesis and degradation pathways, contributing to our understanding of metabolic diseases.
  3. Potential Anti-Cancer Properties: Research has indicated that compounds with similar structures can inhibit cancer cell proliferation.

In conclusion, 5-ethyl-5-sec-butyl-2-sulfanyl-1H-pyrimidine-4,6-dione is not just a simple molecule; it's a glimpse into the diverse world of chemical research with promising implications for human health and disease management. As we continue to study such compounds, we unlock new pathways for drug development and bioactivity.