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N-(4-bromo-3-chloro-phenyl)-1-ethoxycarbonylsulfanyl-methanimidothioic acid

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Identification
Molecular formula
C10H9BrClNO2S2
CAS number
135537-83-8
IUPAC name
N-(4-bromo-3-chloro-phenyl)-1-ethoxycarbonylsulfanyl-methanimidothioic acid
State
State

At room temperature, this compound generally exists as a solid. It is typically stable under normal conditions but may react upon exposure to specific conditions such as high temperatures or reactive chemicals.

Melting point (Celsius)
153.70
Melting point (Kelvin)
426.85
Boiling point (Celsius)
326.50
Boiling point (Kelvin)
599.65
General information
Molecular weight
346.62g/mol
Molar mass
346.6150g/mol
Density
1.5789g/cm3
Appearence

This compound is typically a pale yellow to off-white crystalline solid. It may have a faint odor characteristic of similar organic compounds.

Comment on solubility

Solubility of N-(4-bromo-3-chloro-phenyl)-1-ethoxycarbonylsulfanyl-methanimidothioic acid

The solubility of N-(4-bromo-3-chloro-phenyl)-1-ethoxycarbonylsulfanyl-methanimidothioic acid is a key factor in understanding its chemical behavior and potential applications. This compound, characterized by the presence of both sulfonyl and thioic acid functional groups, suggests a mixture of properties that can affect its solubility.

Factors Influencing Solubility:

  • Polarity: The molecule contains polar functional groups, which can enhance its solubility in polar solvents like water.
  • Hydrogen Bonding: The thioic acid group may engage in hydrogen bonding, promoting solubility in the presence of appropriate solvents.
  • Substituent Effects: The presence of halogen substituents such as bromine and chlorine could introduce steric hindrance or change electron density, impacting solubility.
  • Chain Length and Branching: The ethoxycarbonyl group may influence the hydrophobic or hydrophilic character of the compound, thus affecting its solubility profile.

As a result of these factors, the solubility of this compound can vary based on environmental conditions and the choice of solvent. Generally, we can expect it to have moderate solubility in organic solvents, while its solubility in aqueous environments may be limited. The ability to establish favorable interactions with solvents plays a pivotal role in determining the overall solubility of N-(4-bromo-3-chloro-phenyl)-1-ethoxycarbonylsulfanyl-methanimidothioic acid.

Interesting facts

Interesting Facts about N-(4-bromo-3-chloro-phenyl)-1-ethoxycarbonylsulfanyl-methanimidothioic acid

N-(4-bromo-3-chloro-phenyl)-1-ethoxycarbonylsulfanyl-methanimidothioic acid is a fascinating compound that presents a myriad of interesting characteristics and potential applications. Here are some notable points about this unique molecule:

  • Biological Relevance: This compound features both a thiol and imidothioic acid functional groups, which are significant in biological systems. Thiols can act as antioxidants and play a vital role in redox reactions within cells, making this compound a potential candidate for pharmaceutical research.
  • Halogenated Aromatic Ring: The presence of a bromine and chlorine atom on the phenyl ring can enhance the compound’s reactivity. Halogenated compounds are often studied for their roles in medicinal chemistry due to their ability to interact with biological targets effectively.
  • Pesticide Development: Compounds similar to this one have been explored for use in agrochemicals. The strategic alteration of the aromatic and aliphatic portions can lead to more effective and environmentally friendly pesticide formulations.
  • Synthetic Versatility: The structure of this compound allows for potential modifications that can lead to novel derivatives. Such explorations could yield compounds with varied bioactivity, conducting further studies on structure-activity relationships (SAR).
  • Environmentally Friendly Synergies: With increasing attention on green chemistry, compounds like this one can be tailored to minimize environmental impact while maintaining efficacy in their intended uses.

As highlighted above, N-(4-bromo-3-chloro-phenyl)-1-ethoxycarbonylsulfanyl-methanimidothioic acid stands out as a compound rich in potential, bridging various fields of study, including organic chemistry, biochemistry, and material science. Its study could pave the way for breakthroughs in medicinal chemistry and agricultural applications.