1-(4-Butoxyphenyl)-3-[4-(dimethylamino)phenyl]isothiourea

Identification

Molecular formula

C₁₉H₂₆N₂OS

CAS number

14176-54-4

IUPAC name

1-(4-butoxyphenyl)-3-[4-(dimethylamino)phenyl]isothiourea

State

The compound is generally found as a solid at room temperature.

Melting point (Celsius)

198.00

Melting point (Kelvin)

471.15

Boiling point (Celsius)

358.00

Boiling point (Kelvin)

631.15

General information

Molecular weight

343.49g/mol

Molar mass

343.4920g/mol

Density

1.1800g/cm³

Appearence

The compound appears as a crystalline solid, typically off-white to pale yellow in color. It may take the form of powders or small crystals.

Comment on solubility

Solubility of 1-(4-butoxyphenyl)-3-[4-(dimethylamino)phenyl]isothiourea

The solubility of 1-(4-butoxyphenyl)-3-[4-(dimethylamino)phenyl]isothiourea in different solvents is a complex topic influenced by its unique molecular structure. Generally, the solubility properties of this compound can be characterized by the following key points:

Polarity: The presence of both butoxy groups and dimethylamino groups contributes to the overall polarity of the molecule, which can impact its solubility in polar versus non-polar solvents.
Solvent Compatibility: This compound is more likely to dissolve in organic solvents such as ethanol, methanol, and acetone due to its non-polar characteristics, while its solubility in water may be limited.
Hydrogen Bonding: The isothiourea moiety can participate in hydrogen bonding, which may increase solubility in polar solvents by forming interactions with solvent molecules.
Concentration Dependency: Its solubility can be concentration-dependent, meaning that at higher concentrations, the compound may exhibit reduced solubility due to intermolecular interactions.

In summary, while 1-(4-butoxyphenyl)-3-[4-(dimethylamino)phenyl]isothiourea is expected to exhibit moderate solubility in various organic solvents, its behavior in aqueous environments is less predictable, highlighting the importance of solvent choice in applications involving this compound. As with many organic compounds, a systematic approach to determining solubility is essential for practical use.

Interesting facts

Interesting Facts about 1-(4-butoxyphenyl)-3-[4-(dimethylamino)phenyl]isothiourea

1-(4-butoxyphenyl)-3-[4-(dimethylamino)phenyl]isothiourea is a fascinating compound with various applications in scientific research and industry. Here are some key insights into this intriguing substance:

Amine Derivative: This compound features a dimethylamino group, making it rich in nitrogen. Such groups often impart unique reactivity and solubility characteristics to organic compounds.
Isothiourea Core: The isothiourea moiety is noteworthy for its biological activities. Compounds containing this functional group have been studied for their potential as antitumor agents and antimicrobial agents.
Solubility Flexibility: The butoxy substituent offers considerable flexibility in solubility properties, suggesting potential applications in formulations where solubility boosts efficacy.
Biological Activity: Due to the presence of the phenyl rings, there may be interesting interactions with biological targets, making it a candidate for pharmaceuticals development.
Synthetic Utility: The compound can be synthesized using various organic reactions, serving as a model compound for the study of isothiourea derivatives in synthetic chemistry.
Structure-Activity Relationship (SAR) Studies: This compound can be utilized in SAR studies to investigate how variations in structure affect biological activity, which is critical in drug design.
Research Potential: The unique structure of 1-(4-butoxyphenyl)-3-[4-(dimethylamino)phenyl]isothiourea makes it a candidate for further research in the fields of medicinal chemistry and biochemistry.

The exploration of this compound not only broadens our understanding of isothiourea derivatives but also serves as a stepping stone for future innovations in therapeutic applications. Its distinct chemical characteristics make it a subject of ongoing research in various scientific disciplines!