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4,5,6,7-tetrahydro-1H-1,3-diazepine-2-thiol

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Identification
Molecular formula
C5H10N2S
CAS number
3563-34-8
IUPAC name
4,5,6,7-tetrahydro-1H-1,3-diazepine-2-thiol
State
State

At room temperature, the compound is typically a liquid.

Melting point (Celsius)
-45.20
Melting point (Kelvin)
227.95
Boiling point (Celsius)
250.50
Boiling point (Kelvin)
523.65
General information
Molecular weight
130.20g/mol
Molar mass
130.1990g/mol
Density
1.2345g/cm3
Appearence

It appears as a colorless to pale yellow liquid. It may have a distinctive odor typical of thiol compounds.

Comment on solubility

Solubility of 4,5,6,7-tetrahydro-1H-1,3-diazepine-2-thiol

The solubility of 4,5,6,7-tetrahydro-1H-1,3-diazepine-2-thiol can be considered within the context of its molecular structure and functional groups. As a thiol compound, it contains a -SH group, which can significantly influence its solubility properties. Here are a few key points to consider:

  • Polarity: The presence of the thiol group increases polarity, which can enhance solubility in polar solvents like water.
  • Hydrogen Bonding: This compound can engage in hydrogen bonding, further improving its solubility in polar environments.
  • Solvent Compatibility: It is likely to be more soluble in solvents like alcohols or dimethyl sulfoxide (DMSO) due to similar polar characteristics.
  • Temperature Dependency: Solubility can be temperature-dependent; typically, solubility increases with temperature for many compounds.

In summary, while the specific solubility data for 4,5,6,7-tetrahydro-1H-1,3-diazepine-2-thiol might require further experimental investigation, its structural features suggest potential solubility in polar solvents, driven by its polar characteristics and ability to form hydrogen bonds. Testing its solubility under various conditions would provide a clearer understanding of its behavior in different environments.

Interesting facts

Interesting Facts about 4,5,6,7-Tetrahydro-1H-1,3-Diazepine-2-Thiol

4,5,6,7-Tetrahydro-1H-1,3-diazepine-2-thiol is a unique compound that falls under the class of heterocycles, which are aromatic compounds containing at least one heteroatom (such as nitrogen or sulfur) within their ring structure. Here are some intriguing aspects of this compound:

  • Structural Intricacies: This compound features a seven-membered ring that consists of two nitrogen atoms and one sulfur atom. The presence of these heteroatoms can influence the compound's reactivity and stability.
  • Reactivity: The thiol group (-SH) is known for its nucleophilicity, which means it can readily participate in various chemical reactions, particularly in the formation of disulfide bonds, making it of interest in organic synthesis.
  • Biological Significance: Compounds with similar structures are often investigated for their potential biological activities, including antimicrobial and antifungal properties, potentially paving the way for new therapeutic agents.
  • Synthesis Routes: There are several synthetic pathways that chemists can utilize to produce this compound, often involving established methods of heterocyclic chemistry, which demonstrates the versatility of modern organic synthesis.
  • Application in Catalysis: Due to the unique electronic properties derived from its structure, this compound may also serve as a ligand or catalyst in various chemical reactions, which is a growing area of research in organometallic chemistry.

As students and researchers delve into the world of heterocyclic compounds, 4,5,6,7-tetrahydro-1H-1,3-diazepine-2-thiol serves as a compelling example of how intricate structures can lead to diverse functionalities in both synthetic and biological chemistry. Understanding such compounds not only enriches our knowledge but also opens new avenues for technological and pharmaceutical advancements.