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Thiophanate-methyl

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Identification
Molecular formula
C12H14N4O4S2
CAS number
23564-05-8
IUPAC name
ethyl N-[[2-[(N-ethoxycarbonyl-C-sulfanyl-carbonimidoyl)amino]anilino]-sulfanyl-methylene]carbamate
State
State

Thiophanate-methyl is typically encountered as a solid at room temperature. It is usually in the form of a crystalline powder that is used in agricultural applications.

Melting point (Celsius)
174.00
Melting point (Kelvin)
447.15
Boiling point (Celsius)
398.00
Boiling point (Kelvin)
671.15
General information
Molecular weight
343.39g/mol
Molar mass
343.4190g/mol
Density
1.5023g/cm3
Appearence

Thiophanate-methyl is a white, crystalline solid. It can also appear as a colorless crystal or powder. It is most commonly encountered in its formulated state as a wettable powder.

Comment on solubility

Solubility of Ethyl N-[[2-[(N-ethoxycarbonyl-C-sulfanyl-carbonimidoyl)amino]anilino]-sulfanyl-methylene]carbamate

When examining the solubility of ethyl N-[[2-[(N-ethoxycarbonyl-C-sulfanyl-carbonimidoyl)amino]anilino]-sulfanyl-methylene]carbamate, it is essential to consider several factors that affect its interaction with solvents. The compound's complex structure suggests that its solubility may be influenced by:

  • Polar and Nonpolar Character: The functional groups present, such as ethoxy and sulfanyl, can impart polar characteristics, making it more soluble in polar solvents like water or alcohols.
  • Hydrogen Bonding: The ability of the compound to engage in hydrogen bonding can enhance solubility in suitable solvents.
  • Alkyl Chain Influence: The ethyl group contributes to nonpolar character, which might limit solubility in highly polar solvents.

The interplay between these factors often leads to a nuanced solubility profile. General observations include:

  1. Possible solubility in dimethyl sulfoxide (DMSO) or other polar aprotic solvents.
  2. Greater challenges to solubility in water, owing to hydrophobic regions.
  3. Enhanced solubility in organic solvents due to the presence of ethyl and sulfur functionalities.

In conclusion, while the solubility of this compound can vary significantly depending on the solvent, understanding its chemical structure and functional groups is key in predicting its behavior in different environments. As with many chemical compounds, experimentation is often required to ascertain precise solubility characteristics.

Interesting facts

Interesting Facts about Ethyl N-[[2-[(N-ethoxycarbonyl-C-sulfanyl-carbonimidoyl)amino]anilino]-sulfanyl-methylene]carbamate

This compound, ethyl N-[[2-[(N-ethoxycarbonyl-C-sulfanyl-carbonimidoyl)amino]anilino]-sulfanyl-methylene]carbamate, is a remarkable example of modern synthetic chemistry, showcasing the intricacies of designing compounds with specific biological functions. Here are some fascinating highlights:

  • Complex Structure: The compound features a complex molecular architecture that includes both carbamate and sulfanyl groups, contributing to its potential biological activity.
  • Designed for Function: This compound can potentially serve as a pharmacophore, which is a molecular framework capable of inducing a specific biological response. Scientists are often excited about compounds like this because they may lead to the development of new drugs.
  • Applications in Medicine: Compounds containing sulfanyl and carbamate groups have been explored for their anti-inflammatory, antitumor, and antimicrobial properties, making them valuable candidates in pharmaceutical research.
  • Role in Drug Design: The use of ethoxycarbonyl functionalities indicates a strategic choice in drug design, aimed at enhancing solubility or stability, which are critical factors for drug efficacy.
  • Research Potential: Ongoing studies may reveal new insights into the interactions of this compound with biological molecules, thereby opening avenues for therapeutic enhancements in various diseases.

In summary, compounds like ethyl N-[[2-[(N-ethoxycarbonyl-C-sulfanyl-carbonimidoyl)amino]anilino]-sulfanyl-methylene]carbamate represent the forefront of chemical research, where the intersection of organic chemistry and pharmacology can lead to significant advancements in medicine. As researchers continue to investigate such compounds, they hold the promise of novel therapeutic agents that could change the landscape of healthcare.