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N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboximidothioic acid

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Identification
Molecular formula
C18H19ClN2O2S
CAS number
126544-47-6
IUPAC name
N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboximidothioic acid
State
State

This compound is typically a solid at room temperature, appearing as a stable crystalline powder. It is not volatile under standard conditions.

Melting point (Celsius)
242.00
Melting point (Kelvin)
515.15
Boiling point (Celsius)
431.50
Boiling point (Kelvin)
704.65
General information
Molecular weight
388.92g/mol
Molar mass
388.9230g/mol
Density
1.3600g/cm3
Appearence

The compound typically appears as a crystalline solid powder. The color can range from white to off-white or slightly yellow, depending on purity and form.

Comment on solubility

Solubility of N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboximidothioic acid

The solubility of the compound C18H19ClN2O2S can be influenced by various factors, including its molecular structure and the presence of functional groups. The presence of the chlorophenyl and carboximidothioic acid moieties suggests different solubility characteristics:

  • Polar functional groups: The -OH (hydroxyl) groups in the structure tend to increase solubility in polar solvents, such as water.
  • Non-polar regions: The large hydrocarbon backbone and aromatic rings may enhance solubility in organic solvents like ethanol or dimethyl sulfoxide (DMSO).
  • pH dependence: The solubility can further be influenced by pH, especially due to the acidic nature of the carboximidothioic acid group, potentially enhancing its solubility in basic conditions.

In summary, while the compound shows a likelihood of being soluble in polar solvents due to its hydrophilic groups, it may also exhibit varying solubility characteristics in non-polar solvents. Therefore, the context of the solution, including solvent type and temperature, will be crucial in determining its overall solubility profile.

Interesting facts

Interesting Facts About N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboximidothioic acid

This compound, with its intricate structure, belongs to a class of compounds known for their potential therapeutic applications. Here are some notable insights:

  • Pharmacological Potential: Compounds like this one may exhibit activity that can influence the central nervous system, making them targets for research in treating various conditions, including mood disorders.
  • Structure-Activity Relationship (SAR): The presence of the 4-chlorophenyl group significantly affects its biological activity. Scientists often study this relationship to enhance effectiveness and reduce side effects.
  • Thioamide Group: The carboximidothioic acid portion is of particular interest. Thioamide compounds have shown promise in several biological functions, including anti-inflammatory and anti-cancer properties.
  • Natural Analogues: The basic skeleton of the compound resembles several naturally occurring alkaloids, hinting at the potential for related synthesizable substances with similar or improved properties.
  • Synthetic Versatility: Many compounds of this nature can be synthesized through various pathways, allowing chemists to modify side chains and explore new derivatives with tailored biological interactions.

Science continually reveals the complexity and potential of compounds like N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboximidothioic acid; ongoing research could illuminate even more about their functionalities, leading to advancements in medicinal chemistry.