1-allylsulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimidothioic acid

Identification

Molecular formula

C₁₄H₁₉NO₂S₂

CAS number

207559-46-0

IUPAC name

1-allylsulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimidothioic acid

State

This compound is typically found in a solid state at room temperature.

Melting point (Celsius)

210.00

Melting point (Kelvin)

483.15

Boiling point (Celsius)

350.00

Boiling point (Kelvin)

623.15

General information

Molecular weight

317.43g/mol

Molar mass

317.4260g/mol

Density

1.1200g/cm³

Appearence

The compound appears as a white to off-white crystalline solid.

Comment on solubility

Solubility of 1-allylsulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimidothioic acid

The solubility of 1-allylsulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimidothioic acid in various solvents can be quite intricate due to its unique structure. Here are some factors to consider regarding its solubility:

Polarity: The presence of functional groups, such as thioic acid and alkyl chains, suggests that it may exhibit varying degrees of polarity, influencing its solubility in polar or non-polar solvents.
Hydrogen Bonding: The capacity for hydrogen bonding due to the thioic acid group may enhance solubility in polar solvents, such as water or alcohols.
Hydrophobic Interactions: The allyl sulfanyl and dimethoxyphenyl substituents may create hydrophobic regions that limit solubility in highly polar environments.

It is essential to note that:

In water, significant solubility might be limited.
In organic solvents like ethanol or methanol, solubility is likely improved.
Temperature may also play a critical role—how temperature variations could change solubility patterns is an essential consideration.

In conclusion, while detailed solubility data may require empirical testing, understanding the influence of polarity, functional groups, and temperature provides a solid starting point for predicting the solubility behavior of this complex compound.

Interesting facts

Interesting Facts about 1-allylsulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimidothioic acid

This complex organic compound showcases the fascinating interplay of various chemical functional groups, making it a captivating subject for study. Here are some intriguing aspects:

Structural Diversity: The compound features an allylsulfanyl group, which introduces unique reactivity patterns that can be explored in synthetic chemistry.
Pharmaceutical Relevance: Compounds with similar structures are often investigated for medicinal properties, including their potential as anti-cancer or anti-inflammatory agents.
Dimethoxy Substituents: The presence of 3,4-dimethoxyphenyl groups suggests potential for intriguing interactions with biological targets, possibly enhancing solubility and reactivity.
Thioacid Formation: The structural makeup hints at the ability of this compound to act as a thioacid, which can be useful in various nucleophilic substitution reactions.
Research Potential: With its unique composition, there's an opportunity for emerging research to explore synthetic pathways, reactivity metrics, and potential applications in materials science.

In conclusion, 1-allylsulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimidothioic acid is not just a name; it's a doorway into the rich world of organic chemistry, where the possibilities for investigation and application are vast. This compound exemplifies how intricate design in chemical structures can lead to significant implications in both theoretical studies and practical applications.