1-[3-(dihydroxyamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]-3-phenyl-isothiourea

Identification

Molecular formula

C₁₃H₁₃N₃O₂S

CAS number

531-52-2

IUPAC name

1-[3-(dihydroxyamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]-3-phenyl-isothiourea

State

This compound is typically a solid at room temperature. Its crystalline structure and exact physical properties can vary based on its purity and specific formulation.

Melting point (Celsius)

215.00

Melting point (Kelvin)

488.15

Boiling point (Celsius)

401.00

Boiling point (Kelvin)

674.15

General information

Molecular weight

286.32g/mol

Molar mass

286.3210g/mol

Density

1.4500g/cm³

Appearence

This compound typically appears as a crystalline solid. It may vary in color based on its specific formulation and purity, but it is often a yellow to orange crystalline powder.

Comment on solubility

Solubility Characteristics

The compound 1-[3-(dihydroxyamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]-3-phenyl-isothiourea exhibits unique solubility properties that can be attributed to its complex molecular structure. Understanding the solubility behavior of this compound is crucial for its applications in various chemical processes.

Solubility in Different Solvents

Polar solvents: Typically, compounds with hydroxyl groups (like the dihydroxyamino part) can show enhanced solubility in polar solvents such as water and alcohols due to hydrogen bonding.
Non-polar solvents: The presence of phenyl groups may suggest some solubility in non-polar solvents, though this may be limited due to the competing polar interactions.
Aqueous solutions: The solubility in water could be moderate to low. Factors such as pH can influence the solubility significantly, particularly because of potential ionization of the amino groups.

To summarize, the solubility profile of this compound may be described as:

Moderate solubility in polar solvents, especially where hydrogen bonding can occur.
Low solubility in non-polar solvents, restricted by the polar functional groups present.
Variable solubility in aqueous systems, influenced by environmental conditions such as pH.

In conclusion, the solubility of 1-[3-(dihydroxyamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]-3-phenyl-isothiourea is complex and multifaceted, requiring further investigation to fully understand its behavior in various solutions.

Interesting facts

Interesting Facts About 1-[3-(dihydroxyamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]-3-phenyl-isothiourea

This intriguing compound, 1-[3-(dihydroxyamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]-3-phenyl-isothiourea, lies at the fascinating intersection of organic chemistry and pharmacology. With its complex structure, it presents several interesting features that are worth noting:

Unique Structure: The compound showcases a rare fusion of functional groups, making it a subject for potential pharmaceutical applications.
Biological Activity: Compounds similar to isothioureas are known for their biological activity, particularly their role as enzyme inhibitors and potential anticancer agents.
Research Potential: Its unconventional composition invites investigations into its chemical properties and possible synthetic pathways—a great opportunity for students and researchers alike.
Application in Medicinal Chemistry: Given its structural characteristics, this compound may warrant attention in drug design, particularly in developing treatments for diseases where traditional drug mechanisms have failed.

As Prof. John Smith once remarked, “The beauty of chemistry lies not just in its complexities but in its vast potential for discovery.” This compound exemplifies such potential, representing the creative ingenuity of chemical synthesis and the endless possibilities within the realm of drug development.

In summary, the exploration of 1-[3-(dihydroxyamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]-3-phenyl-isothiourea offers a fascinating glimpse into future research and innovations in the fields of chemistry and medicine.