3,4,5,6-tetrahydro-2H-azepine-7-thiol

Identification

Molecular formula

C₆H₁₁NS

CAS number

5434-20-8

IUPAC name

3,4,5,6-tetrahydro-2H-azepine-7-thiol

State

3,4,5,6-Tetrahydro-2H-azepine-7-thiol is a liquid at room temperature. The presence of the thiol group imparts a characteristic odor typical of sulfur-containing compounds.

Melting point (Celsius)

15.00

Melting point (Kelvin)

288.15

Boiling point (Celsius)

180.00

Boiling point (Kelvin)

453.15

General information

Molecular weight

115.20g/mol

Molar mass

115.1980g/mol

Density

1.0100g/cm³

Appearence

3,4,5,6-Tetrahydro-2H-azepine-7-thiol typically appears as a pale yellow liquid or a crystalline solid. It has a distinct sulfurous odor, characteristic of thiol groups. The compound may exhibit slight translucence, depending on its physical state and purity level.

Comment on solubility

Solubility of 3,4,5,6-Tetrahydro-2H-Azepine-7-thiol

The solubility of 3,4,5,6-tetrahydro-2H-azepine-7-thiol can be influenced by various factors such as temperature, pH, and the presence of other solvents. This compound, with a unique structure, exhibits specific solubility characteristics worth noting:

Polar and Non-Polar Solvents: The thiol group (-SH) present in the molecule can enhance solubility in polar solvents, such as water and alcohols.
Hydrophobic Characteristics: The bulky azepine ring may contribute to its solubility in non-polar organic solvents, suggesting a dual solubility profile.

It is essential to consider that solubility may vary significantly based on the solvent used:

Highly Soluble: In solvents like methanol and ethanol, where hydrogen bonding can occur.
Limited Solubility: In non-polar solvents like hexane, likely due to the hydrophobic parts of the azepine structure.

To summarize, while 3,4,5,6-tetrahydro-2H-azepine-7-thiol demonstrates solubility in polar solvents, its complete solubility behavior must be thoroughly evaluated in different solvent systems to fully understand its applications in chemical and pharmaceutical contexts.

Interesting facts

Interesting Facts about 3,4,5,6-tetrahydro-2H-azepine-7-thiol

3,4,5,6-tetrahydro-2H-azepine-7-thiol is a fascinating compound that belongs to the class of azepines, which are seven-membered rings featuring both heteroatoms and saturated carbon atoms. Here are some compelling aspects of this compound:

Structural Intrigue: The unique structure of this compound features a thiol (-SH) group, making it reactive and an interesting candidate for various synthetic pathways.
Reactivity: The presence of the thiol group is significant; compounds with thiols are known for their role in nucleophilic substitution reactions, and they can act as reducing agents due to the presence of sulfur.
Biological Relevance: Compounds similar to this azepine have potential applications in medicinal chemistry. Their structural properties may lead to interactions with biological targets, offering insights into drug design.
Versatile Applications: Azepines, as a class, have been found useful in synthesizing pharmaceuticals, agrochemicals, and fine chemicals due to their interesting chemical properties.
Historic Use: Thiol compounds have long been recognized in various applications, including antioxidants, and they are crucial in numerous biochemical processes like protein structure stabilization.

As research continues into the chemical properties and biological activities of such compounds, the importance of 3,4,5,6-tetrahydro-2H-azepine-7-thiol in the world of chemistry is likely to grow. The compound serves as a reminder of the vast potential hidden within seemingly simple structures.