2-Cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)propenimidothioic acid

Identification

Molecular formula

C₁₉H₂₅NO₂S

CAS number

123-77-3

IUPAC name

2-cyano-3-(3,5-ditert-butyl-4-hydroxy-phenyl)prop-2-enimidothioic acid

State

The compound is typically in a solid state at room temperature. It is usually encountered as a powder or crystalline solid, depending on its preparation and handling.

Melting point (Celsius)

156.00

Melting point (Kelvin)

429.15

Boiling point (Celsius)

314.00

Boiling point (Kelvin)

587.15

General information

Molecular weight

317.44g/mol

Molar mass

317.4360g/mol

Density

1.1923g/cm³

Appearence

2-Cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)propenimidothioic acid typically appears as a yellowish solid with a crystalline structure. It may vary slightly in shade depending on the conditions of storage and the degree of purity.

Comment on solubility

Solubility of 2-cyano-3-(3,5-ditert-butyl-4-hydroxy-phenyl)prop-2-enimidothioic acid

The solubility of the compound 2-cyano-3-(3,5-ditert-butyl-4-hydroxy-phenyl)prop-2-enimidothioic acid (C₁₉H₂₅NO₂S) can be an intriguing characteristic to explore. Understanding its solubility properties is essential for determining how it behaves in various environments. Here are some key points regarding its solubility:

Polar vs Non-Polar Solvents: This compound is likely to exhibit different solubility in polar versus non-polar solvents due to the presence of functional groups that can interact via hydrogen bonding.
Water Solubility: Given its large hydrophobic portion from the tert-butyl groups, it may have limited solubility in water but could dissolve better in organic solvents.
Temperature Influence: Solubility can vary significantly with temperature, so testing at different temperatures is necessary to fully understand its behavior.
Chemical Stability: The solubility may also influence the compound's stability, as certain solvents could lead to degradation or reaction.

In summary, the solubility characteristics of 2-cyano-3-(3,5-ditert-butyl-4-hydroxy-phenyl)prop-2-enimidothioic acid are shaped by its structural features and environmental conditions. Further experimental data would provide greater insight into its solubility behavior under different conditions, which is vital for its practical applications.

Interesting facts

Interesting Facts about 2-Cyano-3-(3,5-Ditert-butyl-4-hydroxy-phenyl)prop-2-enimidothioic Acid

The compound 2-cyano-3-(3,5-ditert-butyl-4-hydroxy-phenyl)prop-2-enimidothioic acid, often simply referred to for its intriguing structural properties, is a fascinating member of the chemical family influenced by both nitrogen and sulfur functionalities. Here’s what makes it stand out:

Versatile Applications: This compound is particularly noteworthy in materials science and organic chemistry due to its potential use as an antioxidant and a stabilizer in various polymers. Its structure allows it to effectively prevent oxidative degradation, thus prolonging the lifespan of materials.
Biological Activity: Recent studies have indicated that compounds similar to this one exhibit significant biological activity, including anti-inflammatory and anticancer properties. This could open doors to further research in medicinal chemistry.
Intriguing Structure: The presence of both cyano and thioic acid functionalities in its structure highlights its potential reactivity and the formation of new derivatives through various organic reactions. This structural complexity makes it a candidate for innovative synthetic pathways.
Environmental Stability: With the incorporation of bulky tert-butyl groups, compounds like this one are generally known for their enhanced stability in harsh environmental conditions, making them favorable in industrial applications.
Relationship to Phenolic Compounds: The hydroxy-phenyl group introduces notable antioxidant capabilities, suggesting a similarity to phenolic compounds known for their beneficial health effects.

In summary, 2-cyano-3-(3,5-ditert-butyl-4-hydroxy-phenyl)prop-2-enimidothioic acid is a compound that bridges multiple fields, from materials science to pharmacology. It stands as a testament to the complexity and beauty of chemical structures, with subtle design intricacies leading to profound impacts in various applications.