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1-Allylsulfanyl-N-[2-(3,4-diethoxyphenyl)ethyl]methanimidothioic acid

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Identification
Molecular formula
C17H24N2O2S2
CAS number
439108-72-0
IUPAC name
1-allylsulfanyl-N-[2-(3,4-diethoxyphenyl)ethyl]methanimidothioic acid
State
State

At room temperature, this compound exists as a solid, demonstrating stability under standard laboratory conditions. Its complex structure contributes to its robust solid-state presence.

Melting point (Celsius)
198.00
Melting point (Kelvin)
471.15
Boiling point (Celsius)
553.00
Boiling point (Kelvin)
826.15
General information
Molecular weight
337.48g/mol
Molar mass
337.4780g/mol
Density
1.1200g/cm3
Appearence

This compound typically appears as a crystalline solid, with a notable intensity due to its ether functional groups derived from the 3,4-diethoxyphenyl moiety. It might exhibit a faint yellow tint depending on purity and batch preparation.

Comment on solubility

Solubility of 1-allylsulfanyl-N-[2-(3,4-diethoxyphenyl)ethyl]methanimidothioic acid

The solubility of 1-allylsulfanyl-N-[2-(3,4-diethoxyphenyl)ethyl]methanimidothioic acid can be characterized based on its complex structure, which includes various functional groups that influence its interaction with solvents. Understanding the solubility behavior of this compound is crucial for its application in different chemical environments.

Factors Affecting Solubility:

  • Polarity: The presence of polar functional groups may enhance solubility in polar solvents, while non-polar regions could favor solubility in non-polar solvents.
  • Hydrogen Bonding: The ability of the compound to form hydrogen bonds can significantly affect its solubility in aqueous solutions.
  • Structural Considerations: Steric factors and the overall three-dimensional arrangement may impede or facilitate solvation processes.

In practical terms, for compounds of similar structure, they often exhibit higher solubility in organic solvents such as ethanol or dichloromethane. Moreover, it is essential to note that temperature and pH can also play vital roles in determining the solubility profile:

  • At elevated temperatures, solubility may increase due to increased molecular motion.
  • The pH of the solution can alter the ionization of functional groups, impacting solubility.

In summary, while the specific solubility data for 1-allylsulfanyl-N-[2-(3,4-diethoxyphenyl)ethyl]methanimidothioic acid is not readily available, it is expected that its complex functional makeup will present unique solubility characteristics worthy of exploration.

Interesting facts

Interesting Facts about 1-allylsulfanyl-N-[2-(3,4-diethoxyphenyl)ethyl]methanimidothioic acid

1-allylsulfanyl-N-[2-(3,4-diethoxyphenyl)ethyl]methanimidothioic acid is a fascinating compound that embodies the intersection of organic chemistry and pharmacology. Here are some intriguing points about this unique chemical:

  • Synthesis and Applications: This compound is known primarily for its potential applications in medicinal chemistry, especially in the development of novel therapeutic agents. Its structure suggests interesting interactions with biological targets, paving the way for further research.
  • Functional Groups: The compound features a diverse array of functional groups, including thioic acid, imidothioic, and allylic sulfonic moieties. Each of these contributes to the compound's reactivity and interaction profile, making it an interesting subject for study.
  • Biological Significance: Compounds that incorporate phenyl and thioether groups often show promising biological activity. The presence of the 3,4-diethoxyphenyl substituent suggests potential utilization in various bioactive assays, possibly influencing enzyme inhibition or receptor binding.
  • Drug Design: The complexity of this structure underlines the importance of structure-activity relationship (SAR) studies in drug discovery. Understanding how modifications impact its efficacy can lead to more potent and selective therapeutic agents.
  • Research Opportunities: Investigating the properties of this compound can yield insights into the design of safer and more effective medications. The nuances of its synthesis and reactivity offer a treasure trove for both students and seasoned chemists to explore.

In summary, 1-allylsulfanyl-N-[2-(3,4-diethoxyphenyl)ethyl]methanimidothioic acid is not just a name; it represents the thrilling potential of chemical compounds in contributing to human health and advancing scientific knowledge. As noted by renowned chemist Linus Pauling, “The best way to have a good idea is to have a lot of ideas.” This compound embodies that spirit, encouraging exploration and innovation.