1-allylsulfanyl-N-[(3,4-dimethoxyphenyl)methyl]methanimidothioic acid

Identification

Molecular formula

C₁₃H₁₇NO₂S₂

CAS number

156416-80-5

IUPAC name

1-allylsulfanyl-N-[(3,4-dimethoxyphenyl)methyl]methanimidothioic acid

State

Under standard conditions, it is typically a liquid. It is somewhat viscous and oily, indicating a higher level of molecular interaction typical in compounds with sulfur and aromatic components.

Melting point (Celsius)

-3.00

Melting point (Kelvin)

270.15

Boiling point (Celsius)

352.00

Boiling point (Kelvin)

625.15

General information

Molecular weight

285.40g/mol

Molar mass

285.4040g/mol

Density

1.2800g/cm³

Appearence

This compound typically appears as a colorless to yellowish oily liquid. The presence of aromatic and thioether groups provides it with distinct odorous properties.

Comment on solubility

Solubility of 1-allylsulfanyl-N-[(3,4-dimethoxyphenyl)methyl]methanimidothioic acid

When discussing the solubility of 1-allylsulfanyl-N-[(3,4-dimethoxyphenyl)methyl]methanimidothioic acid, it's crucial to consider several factors that affect its behavior in various solvents.

Polarity: This compound exhibits polar characteristics due to the presence of functional groups like the thioamide and methoxy groups. These polar segments enhance its affinity for polar solvents.
Solvent interaction: The solubility is typically higher in polar solvents such as water or alcohols, while it may exhibit lower solubility in non-polar solvents like hexane.
Hydrogen bonding: The thioamide moiety can engage in hydrogen bonding with solvents, which may lead to increased solubility in specific environments.

Generally, the solubility can be summarized with the following observations:

High solubility in polar solvents due to the presence of polar functional groups.
Limited solubility in non-polar solvents, where the hydrophobic interactions dominate.
Potential ground for optimized solubility by modifying the solvent environment or pH.

In conclusion, while 1-allylsulfanyl-N-[(3,4-dimethoxyphenyl)methyl]methanimidothioic acid is likely to be soluble in polar media, its behavior could vary based on specific conditions. As with many compounds of this class, empirical testing is essential to determine the precise solubility characteristics.

Interesting facts

Interesting Facts About 1-Allylsulfanyl-N-[(3,4-dimethoxyphenyl)methyl]methanimidothioic Acid

1-Allylsulfanyl-N-[(3,4-dimethoxyphenyl)methyl]methanimidothioic acid is a fascinating compound that sits at the intersection of organic chemistry and pharmaceutical research. Here are some intriguing insights about this unique molecule:

Functional Groups:** This compound contains a range of functional groups that enhance its reactivity and potential applications. The presence of the allylsulfanyl group introduces reactivity typical of allyl compounds, which can be pivotal in synthetic chemistry.

Thioesters in Biology:** Compounds similar to this one often play roles in biological systems. Thioesters are important in biochemical pathways, including the synthesis of fats and the metabolism of fatty acids.

Potential Pharmacological Activity:** Given its complex structure, there is potential for the development of pharmaceuticals. The methanimidothioic acid moiety could exhibit interesting biological properties, which warrants further investigation.

Chemical Synthesis:** The synthesis of this compound may involve various methods including nucleophilic substitutions and coupling reactions. Understanding these pathways is essential for chemists looking to create derivatives or analogs.

Dimethoxyphenyl Influence:** The 3,4-dimethoxyphenyl group is known for its role in enhancing the lipophilicity of the compound, which can influence drug delivery mechanisms and biodistribution.

The structural complexity of 1-allylsulfanyl-N-[(3,4-dimethoxyphenyl)methyl]methanimidothioic acid opens avenues for future research, potential therapeutic applications, and deeper understanding of sulfur-containing organic compounds. It stands as a testament to the rich biodiversity found in chemical structures and their possible uses in science and medicine.