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1,3-Dimethyl-1,3-diazepane-2-thione

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Identification
Molecular formula
C7H14N2S
CAS number
20750-58-5
IUPAC name
1,3-dimethyl-1,3-diazepane-2-thione
State
State
At room temperature, 1,3-Dimethyl-1,3-diazepane-2-thione is a solid. It has a relatively stable structure and does not transition to liquid or gaseous states under normal atmospheric conditions easily.
Melting point (Celsius)
54.00
Melting point (Kelvin)
327.00
Boiling point (Celsius)
268.00
Boiling point (Kelvin)
541.00
General information
Molecular weight
158.26g/mol
Molar mass
158.2430g/mol
Density
1.0929g/cm3
Appearence
1,3-Dimethyl-1,3-diazepane-2-thione presents as a light yellow to white crystalline solid. Its crystalline structure is indicative of many sulfur-containing heterocycles, typically forming well-defined crystals due to strong intermolecular interactions.
Comment on solubility

Solubility of 1,3-dimethyl-1,3-diazepane-2-thione

1,3-dimethyl-1,3-diazepane-2-thione, a compound belonging to the diazepane family, presents interesting solubility characteristics that are worth exploring. Generally, the solubility of organic compounds can be influenced by a variety of factors, including:

  • Polarity: The presence of polar and nonpolar regions within the molecule largely determines its affinity for solvents. In this case, 1,3-dimethyl-1,3-diazepane-2-thione can exhibit moderate polarity, affecting its solubility behavior.
  • Temperature: Increased temperature often enhances solubility; thus, this compound may show improved solubility at higher temperatures.
  • pH Level: The solubility may also vary dramatically with changes in pH, particularly due to the presence of functional groups in diazepane derivatives.
  • Solvent Type: Typically dissolving well in polar aprotic solvents (such as DMSO or acetone) enhances its solubility profile, while it may be less soluble in pure nonpolar solvents.

Furthermore, it is essential to note that the thione functional group (-C=S) can also contribute to complex solubility patterns in different solvents. As a general observation, 1,3-dimethyl-1,3-diazepane-2-thione is likely to be soluble in polar organic solvents but may show limited solubility in water, demonstrating the classic "like dissolves like" principle in chemistry.

Understanding the solubility properties of this compound not only adds value to its chemical profile but can also be crucial for applications in various fields, including pharmaceuticals and material sciences. The critical relationship between molecular structure and solubility underscores the importance of considering chemical behavior in practical applications.

Interesting facts

Interesting Facts about 1,3-Dimethyl-1,3-diazepane-2-thione

1,3-Dimethyl-1,3-diazepane-2-thione is a fascinating compound that belongs to the class of thiones, which are sulfur analogs of ketones. This unique structure imparts specific chemical properties that make it an intriguing subject of study in the field of medicinal chemistry and organic synthesis. Here are some notable aspects of this compound:

  • Structural Characteristics: The compound features a diazepane ring, which is a seven-membered ring containing two nitrogen atoms. This structure contributes significantly to its chemical reactivity and potential biological activity.
  • Sulfur Localization: The presence of the thione functional group (–C=S) alters the electron distribution compared to its ketone counterpart, potentially leading to different reactivity and applications in various reactions.
  • Potential Biological Activity: Compounds featuring the diazepane structure and thione functional group have been explored for their biological properties. Research suggests that they may exhibit antimicrobial and antiviral activities, making them candidates for future pharmaceutical development.
  • Versatile Intermediate: In organic synthesis, this compound can act as a versatile intermediate for the preparation of other sulfur-containing compounds, which are valuable in the synthesis of drugs and agrochemicals.
  • Research Interest: The study of similar compounds has expanded in recent years due to the ongoing search for new materials with unique properties, especially in the context of drug resistance and the need for novel treatments.

As you dive deeper into the world of 1,3-dimethyl-1,3-diazepane-2-thione, remember that the exploration of compounds like this one not only enhances our understanding of chemistry but also opens new avenues for innovation in medicine and materials science.

Synonyms
16597-36-7
1,3-DIAZEPIN-2-THIONE, HEXAHYDRO-1,3-DIMETHYL-
BRN 0636619
N,N'-Dimethyltetramethylenethiourea
Hexahydro-1,3-dimethyl-1,3-diazepine
DTXSID80168056
DTXCID5090547
1,3-dimethyl-1,3-diazepane-2-thione
Nndimethyltetramethylenethiourea
CHEMBL275073