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(4-isopropyl-1,4-diazepane-1-carbothioyl)sulfanyl 4-isopropyl-1,4-diazepane-1-carbodithioate

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Identification
Molecular formula
C18H32N4S4
CAS number
:902641-24-1
IUPAC name
(4-isopropyl-1,4-diazepane-1-carbothioyl)sulfanyl 4-isopropyl-1,4-diazepane-1-carbodithioate
State
State

At room temperature, this compound is generally a solid. It is important to store it in a cool and dry place to maintain its stability as it may react with moisture in the air due to the thioester linkages.

Melting point (Celsius)
78.00
Melting point (Kelvin)
351.15
Boiling point (Celsius)
100.00
Boiling point (Kelvin)
373.15
General information
Molecular weight
440.71g/mol
Molar mass
440.7110g/mol
Density
0.9987g/cm3
Appearence

The compound appears as a pale yellow solid with a crystalline nature. The crystals might appear in a slightly oily condition due to their thioester functionalities. It tends to have a somewhat sulfurous odor due to the presence of sulfur in the molecular structure.

Comment on solubility

Solubility of (4-isopropyl-1,4-diazepane-1-carbothioyl)sulfanyl 4-isopropyl-1,4-diazepane-1-carbodithioate

The solubility of the compound (4-isopropyl-1,4-diazepane-1-carbothioyl)sulfanyl 4-isopropyl-1,4-diazepane-1-carbodithioate is an intricate subject influenced by various factors. Here are some key points to consider:

  • Polarity: The presence of nitrogen and sulfur atoms in the structure typically contributes to the polarity of the compound.
  • Solvents: Its solubility is likely higher in polar solvents such as water and alcohols, while potentially lower in non-polar solvents.
  • Temperature: Increased temperatures can enhance solubility for many organic compounds, possibly affecting this one as well.
  • Interactions: Hydrogen bonding may facilitate solubility in polar solvents, implying that the compound might have favorable interactions with such molecules.

To summarize, the solubility of this compound is influenced by its chemical structure, which suggests a moderate level of solubility particularly in polar solvents. As with many chemical compounds, understanding the specific conditions and solvent interactions is crucial to predicting solubility outcomes.

Interesting facts

Interesting Facts about (4-isopropyl-1,4-diazepane-1-carbothioyl)sulfanyl 4-isopropyl-1,4-diazepane-1-carbodithioate

The compound (4-isopropyl-1,4-diazepane-1-carbothioyl)sulfanyl 4-isopropyl-1,4-diazepane-1-carbodithioate, although a mouthful in nomenclature, represents a fascinating class of **thioester derivatives** known for their unique properties and applications. Here are some highlights:

  • Structure and Functionality: This compound features both a diazepane ring and thioester functional groups, making it particularly interesting in the realm of synthetic chemistry. Its structure allows for various **stereochemical configurations**, impacting its reactivity.
  • Applications in Research: Compounds like this one are often utilized in medicinal chemistry, particularly in studying the **structure-activity relationship (SAR)** in drug design. Their ability to inhibit specific enzymes makes them valuable in pharmaceutical research.
  • Role in Organic Synthesis: The presence of sulfur atoms in its structure allows for participation in a variety of **synthetic pathways**, including the formation of new carbon-sulfur bonds, pivotal for creating other complex molecules.
  • Toxicological Profile: Like many organosulfur compounds, this compound may exhibit toxicity, necessitating careful handling. Understanding its toxicological profile is essential for **safety in laboratory settings**.
  • Research Potential: Ongoing studies may reveal novel uses for such compounds in fields like agriculture or materials science, showcasing their versatility beyond traditional applications.

In summary, (4-isopropyl-1,4-diazepane-1-carbothioyl)sulfanyl 4-isopropyl-1,4-diazepane-1-carbodithioate stands out due to its intriguing structure and potential. As the field of chemistry continues to evolve, the exploration of such compounds could lead to groundbreaking discoveries and innovations.

Synonyms
DISULFIDE, BIS((HEXAHYDRO-4-ISOPROPYL-1H-1,4-DIAZEPIN-1-YL)THIOCARBONYL)
29053-37-0
RefChem:1083871
Bis((hexahydro-4-isopropyl-1H-1,4-diazepin-1-yl)thiocarbonyl)disulfide
BRN 0574483