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Ethyl 2-[4-bromo-2-(carbamimidoylsulfanylmethyl)phenoxy]acetate

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Identification
Molecular formula
C12H14BrN2O3S
CAS number
565456-77-1
IUPAC name
ethyl 2-[4-bromo-2-(carbamimidoylsulfanylmethyl)phenoxy]acetate
State
State
At room temperature, ethyl 2-[4-bromo-2-(carbamimidoylsulfanylmethyl)phenoxy]acetate is typically found as a solid. Its solid state is characterized by its crystalline structure and relatively high melting point.
Melting point (Celsius)
211.30
Melting point (Kelvin)
484.45
Boiling point (Celsius)
442.50
Boiling point (Kelvin)
715.65
General information
Molecular weight
364.23g/mol
Molar mass
364.2330g/mol
Density
1.5500g/cm3
Appearence
Ethyl 2-[4-bromo-2-(carbamimidoylsulfanylmethyl)phenoxy]acetate typically appears as a white to off-white crystalline solid. Its appearance may vary slightly based on the level of purity and form, such as powder or crystalline.
Comment on solubility

Solubility of Ethyl 2-[4-bromo-2-(carbamimidoylsulfanylmethyl)phenoxy]acetate

Ethyl 2-[4-bromo-2-(carbamimidoylsulfanylmethyl)phenoxy]acetate, a compound belonging to the category of esters, exhibits intriguing solubility characteristics that are influenced by its molecular structure and functional groups. The solubility of this compound can be summarized as follows:

  • Polar vs. Non-Polar Solvents: Due to the presence of polar functional groups such as the carbamimidoylsulfanylmethyl group, this compound is generally more soluble in polar solvents like water and methanol compared to non-polar solvents.
  • Hydrogen Bonding: The ability of the molecule to form hydrogen bonds with solvents can significantly enhance its solubility. Compounds capable of forming such interactions tend to exhibit greater solubility in polar environments.
  • Temperature Dependence: Solubility can vary with temperature. Typically, higher temperatures can improve solubility for many organic compounds, including esters like this one.
  • Concentration Effects: It is also important to consider that at higher concentrations, the solubility may exhibit deviations from ideal behavior due to molecular interactions.

In conclusion, while the exact solubility characteristics of ethyl 2-[4-bromo-2-(carbamimidoylsulfanylmethyl)phenoxy]acetate will require empirical testing for precise definitions, understanding its polar-natured structure provides a foundational insight into its possible solubility profile. Remember that the interaction with various solvents can lead to different solubility outcomes, making experimental validations crucial for comprehensive insight.

Interesting facts

Interesting Facts about Ethyl 2-[4-bromo-2-(carbamimidoylsulfanylmethyl)phenoxy]acetate

Ethyl 2-[4-bromo-2-(carbamimidoylsulfanylmethyl)phenoxy]acetate is a fascinating compound that serves as a great example of the complexity and versatility of organic chemistry. Here are some intriguing aspects to consider:

  • Functional Groups: This compound integrates multiple functional groups, including an ester and a phenol, contributing to its unique chemical behavior and potential biological activities.
  • Bridging Chemical Families: The presence of a Br atom adds electrophilic character; this can influence the reactivity, making it a potential candidate for various substitution reactions.
  • Biological Relevance: Compounds like this one, which feature a phenoxy group, have shown promise in medicinal chemistry and drug design due to their ability to interact with biological targets.
  • Thioamide Group: The carbamimidoylsulfanylmethyl moiety introduces intriguing properties that may enhance the compound's reactivity and interactions, possibly making it useful in synthesizing other complex molecules.
  • Potential Applications: The compound's structure suggests applications in the development of agrochemicals, pharmaceuticals, and other industrial uses, highlighting the importance of synthetic organic chemistry in addressing real-world challenges.

As we delve deeper into the realm of organic compounds, ethyl 2-[4-bromo-2-(carbamimidoylsulfanylmethyl)phenoxy]acetate exemplifies how intricate modifications at the molecular level can lead to new compounds with unique properties and applications. Staying abreast of such compounds can not only enhance our understanding of chemical interactions but also pave the way for innovative solutions in various scientific fields.