3-[1-(5-amino-2-octoxyphenyl)ethylideneamino]isothiourea

Identification

Molecular formula

C₁₇H₂₈N₄O₂

CAS number

185913-79-1

IUPAC name

3-[1-(5-amino-2-octoxy-phenyl)ethylideneamino]isothiourea

State

At room temperature, 3-[1-(5-amino-2-octoxyphenyl)ethylideneamino]isothiourea is typically solid. Owing to its molecular structure, it is usually found in a crystalline form.

Melting point (Celsius)

118.00

Melting point (Kelvin)

391.15

Boiling point (Celsius)

285.00

Boiling point (Kelvin)

558.15

General information

Molecular weight

268.35g/mol

Molar mass

268.3500g/mol

Density

1.1990g/cm³

Appearence

The appearance of 3-[1-(5-amino-2-octoxy-phenyl)ethylideneamino]isothiourea can vary depending on its form. Generally, compounds like this can be in the form of a crystalline powder. The color might range from off-white to light beige, depending on the purity and specific synthesis route used.

Comment on solubility

Solubility of 3-[1-(5-amino-2-octoxy-phenyl)ethylideneamino]isothiourea

The solubility characteristics of 3-[1-(5-amino-2-octoxy-phenyl)ethylideneamino]isothiourea can be particularly intriguing due to its complex structure, which includes various functional groups that influence its interactions with solvents. The following key points highlight its solubility behavior:

Polarity: The presence of both amine (-NH₂) and isothiourea functionalities suggests that the compound may exhibit higher solubility in polar solvents such as water.
Hydrophobic Interactions: The octoxy chain in the molecule adds hydrophobic character, indicating that the compound may have limited solubility in non-polar solvents.
Hydrogen Bonding: The capability of forming hydrogen bonds may enhance its solubility in polar protic solvents, aiding in solvation and dissolution.
pH Dependence: The solubility could be influenced by the pH of the solution, as the protonation of the amino group can alter the overall hydrophilicity of the compound.

In conclusion, while the exact solubility limits may vary based on specific conditions, the insights derived from the compound's functional groups provide important clues. This creates an exciting area for further exploration, indicating that "solubility is often more than a simple answer; it is a complex interplay of structure and environment."

Interesting facts

Interesting Facts about 3-[1-(5-amino-2-octoxy-phenyl)ethylideneamino]isothiourea

This compound, commonly referred to as an isothiourea derivative, is significant in the realm of medicinal chemistry due to its potential biological activities. Below are several intriguing aspects of this compound:

Dual Action: The structure of this compound suggests it may exhibit both thiourea and amine functionalities, which can play a crucial role in its biological activity. Compounds with such features often engage in multiple interaction sites within biological systems.
Research Applications: Isothioureas are known for their use in studying various biological mechanisms. This compound, owing to its unique substitutions, could be explored for its potential in areas such as anti-cancer, anti-inflammatory, and anti-microbial therapies.
Structure-Activity Relationship (SAR): The complexity of its structure provides an excellent opportunity for SAR studies, which are essential in drug development. Investigating how different moieties affect the activity could lead to the design of more potent derivatives.
Solubility Challenges: The presence of the long octoxy chain may influence both the solubility and permeability of this compound, making it a candidate for formulation studies aimed at improving bioavailability.
Potential Targets: Due to its ability to form hydrogen bonds and interact with biological macromolecules, this compound could potentially target specific enzymes and receptors, highlighting its therapeutic potential.

Overall, 3-[1-(5-amino-2-octoxy-phenyl)ethylideneamino]isothiourea stands as a compelling candidate for further investigation, not just for its existing properties but also for the myriad applications possible through structural modifications and enhancements.