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

Identification

Molecular formula

C₁₂H₁₃BrN₂O₃S

CAS number

448225-41-0

IUPAC name

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

State

At room temperature, this compound is typically found in a solid state.

Melting point (Celsius)

165.00

Melting point (Kelvin)

438.15

Boiling point (Celsius)

475.30

Boiling point (Kelvin)

748.45

General information

Molecular weight

362.21g/mol

Molar mass

362.1900g/mol

Density

1.4734g/cm³

Appearence

Methyl 2-[4-bromo-2-(carbamimidoylsulfanylmethyl)phenoxy]acetate typically appears as a crystalline solid. The compound may vary in color from white to off-white.

Comment on solubility

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

The solubility of methyl 2-[4-bromo-2-(carbamimidoylsulfanylmethyl)phenoxy]acetate can be quite intricate due to its unique molecular structure. Here are some key points to consider:

Solvent Compatibility: This compound may show variable solubility depending on the solvent used. For instance, it might be more soluble in organic solvents such as dimethyl sulfoxide (DMSO) or dimethylformamide (DMF).
Polarity Influence: The presence of polar functional groups, such as the carbamimidoylsulfanylmethyl part, could enhance its solubility in polar solvents while reducing solubility in non-polar solvents.
Temperature Effects: As with many chemical compounds, increasing temperature could potentially increase solubility, so temperature should be a consideration when assessing its solubility profile.
Interactions: The bromo substituent may also influence solubility through dipole-dipole interactions or by altering hydrogen bonding capabilities within various solvent systems.

In summary, to glean the most accurate understanding of the solubility of this compound, it is essential to conduct empirical solubility tests across various solvents and temperatures. As the saying goes, "Understanding comes from experimentation!"

Interesting facts

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

Methyl 2-[4-bromo-2-(carbamimidoylsulfanylmethyl)phenoxy]acetate is a fascinating compound that showcases the versatility of organic chemistry and offers insights into medicinal chemistry. Here are some engaging facts about this compound:

Biological Relevance: This compound contains a phenoxyacetate structure, which is often found in various biologically active molecules. Its potential applications in pharmaceuticals make it a candidate for further research in drug development.
Interesting Functional Groups: The presence of the bromine atom and the carbamimidoyl group highlight the diverse interactions these functional groups can have in biological systems, potentially affecting reactivity and solvation.
Structure Activity Relationships (SAR): The complex structure allows for studies in SAR, where changing parts of the molecule can give insights into enhancing efficacy or reducing toxicity in drug design.
Synthetic Pathways: The synthesis of this compound may involve key reactions such as nucleophilic substitution and isocyanate chemistry. These reactions are fundamental in building complex organic molecules.
Potential Mechanism of Action: Due to its structure, there is speculation around its mechanism of action in biological systems, which could include interactions with specific enzymes or receptors, hence its role in therapeutic applications.

As a student or scientist, exploring compounds like methyl 2-[4-bromo-2-(carbamimidoylsulfanylmethyl)phenoxy]acetate unveils the myriad possibilities within organic chemistry. Engaging in research related to this compound can pave the way for innovative discoveries in medicinal chemistry and beyond.