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Methylisothiourea thiocyanate

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Identification
Molecular formula
C3H7N3S
CAS number
615-54-3
IUPAC name
3-[[3-(1,4-dimethyl-1H-imidazol-1-ium-5-yl)-1-methyl-propylidene]amino]isothiourea;thiocyanate
State
State

This compound is typically in a solid state at room temperature, often occurring in a crystalline form.

Melting point (Celsius)
151.00
Melting point (Kelvin)
424.15
Boiling point (Celsius)
264.00
Boiling point (Kelvin)
537.15
General information
Molecular weight
131.20g/mol
Molar mass
131.1960g/mol
Density
1.4520g/cm3
Appearence

Methylisothiourea thiocyanate appears as a colorless to pale yellow solid. It is typically crystalline in form and may have a slight odor associated with sulfur compounds.

Comment on solubility

Solubility of 3-[[3-(1,4-dimethyl-1H-imidazol-1-ium-5-yl)-1-methyl-propylidene]amino]isothiourea;thiocyanate

When examining the solubility characteristics of the compound 3-[[3-(1,4-dimethyl-1H-imidazol-1-ium-5-yl)-1-methyl-propylidene]amino]isothiourea;thiocyanate, several important factors come into play:

  • Polar vs. Non-polar: Given its complex structure that includes both imidazolium and thiocyanate groups, this compound is likely to exhibit polar characteristics, greatly influencing its solubility in various solvents.
  • Water Solubility: The presence of ionic species in the compound suggests that it may have a certain level of solubility in water, especially at elevated temperatures. However, due to steric hindrance from the alkyl substituents, complete solubility may be limited.
  • Organic Solvents: The alkyl and aromatic components can enhance solubility in organic solvents like methanol, ethanol, or acetone, which typically solvate such compounds more effectively.
  • Temperature Effects: As with many chemical compounds, solubility is temperature-dependent. Higher temperatures could lead to increased solubility due to enhanced molecular interaction and solvent dynamics.

In conclusion, while the solubility of 3-[[3-(1,4-dimethyl-1H-imidazol-1-ium-5-yl)-1-methyl-propylidene]amino]isothiourea;thiocyanate suggests potential compatibility with both polar and non-polar solvents, further empirical studies would be beneficial to determine its precise solubility profile in different media. Understanding these aspects will aid in practical applications and optimization in various chemical processes.

Interesting facts

Interesting Facts about 3-[[3-(1,4-dimethyl-1H-imidazol-1-ium-5-yl)-1-methyl-propylidene]amino]isothiourea; thiocyanate

This intriguing compound, commonly referred to as an isothiourea derivative, showcases the fascinating world of organosulfur chemistry. Here are some key points that make this compound stand out:

  • Unique Structure: The presence of a 1,4-dimethyl-1H-imidazolium ring contributes to the compound's unique properties, which may influence its biological activity and chemical reactivity.
  • Potential Applications: Compounds like this one have been researched for their potential use in pharmaceuticals. They're particularly of interest due to their ability to affect biological pathways through sulfur chemistry.
  • Thiocyanate Functionality: The thiocyanate group can play a crucial role in modifying the reactivity and solubility of the compound, making it useful for various synthetic applications.
  • Biological Significance: Isothioureas show promise as inhibitors in numerous biochemical pathways, which could have implications for therapeutic strategies in treating diseases.
  • Polarity Variance: Variations in the substituents, such as adding alkyl or aryl groups, can significantly alter the compound's polarity and, consequently, its behavior in biological systems.

As a corollary, understanding the mechanistic pathways of compounds such as this can not only enhance our comprehension of medicinal chemistry but also inspire the design of new compounds with optimized functionalities. Moreover, studying such complex molecules opens avenues for innovative research and development, bridging gaps between theory and practical application in the field of drug discovery.