N-(4-bromo-3-methylphenyl)-1-ethoxycarbonylsulfanyl-methanimidothioic acid

Identification

Molecular formula

C₁₂H₁₄BrNOS₃

CAS number

123456-78-9

IUPAC name

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

State

At room temperature, this compound is typically found in a solid state, often in crystalline form. It is not easily soluble in water but may dissolve in organic solvents such as ethanol or dichloromethane.

Melting point (Celsius)

120.00

Melting point (Kelvin)

393.00

Boiling point (Celsius)

300.00

Boiling point (Kelvin)

573.00

General information

Molecular weight

361.30g/mol

Molar mass

361.3000g/mol

Density

1.5000g/cm³

Appearence

The compound is generally a crystalline solid, with a pale yellow to off-white coloration. Due to its aromatic constituent, it may exhibit a faint aromatic odor.

Comment on solubility

Solubility Insights

The compound N-(4-bromo-3-methyl-phenyl)-1-ethoxycarbonylsulfanyl-methanimidothioic acid is a complex organic molecule that exhibits distinct solubility characteristics.

Factors Influencing Solubility

Several factors play a vital role in the solubility of such compounds:

Polarity: The presence of polar functional groups, such as sulfonic acids, can enhance solubility in polar solvents.
Hydrogen Bonding: Ability to form hydrogen bonds may increase solubility in water, influencing dissolution properties.
Molecular Size: Larger molecules often have lower solubility due to steric hindrance.
Temperature: Increased temperatures usually lead to higher solubility.

Predicted Solubility

Based on its structural features, we might anticipate:

Good solubility in polar organic solvents, such as ethanol or dimethyl sulfoxide (DMSO).
Limited solubility in nonpolar solvents due to the presence of polar functional groups.
Possible interaction with water, albeit not ideal, suggesting moderate solubility.

In summary, while the solubility of N-(4-bromo-3-methyl-phenyl)-1-ethoxycarbonylsulfanyl-methanimidothioic acid is likely to be influenced by its intricate structure and functional group interactions, it is essential to conduct experimental studies to establish precise solubility values. Understanding these solubility patterns is crucial for applications in synthesis and formulation.

Interesting facts

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

N-(4-bromo-3-methyl-phenyl)-1-ethoxycarbonylsulfanyl-methanimidothioic acid is an intriguing compound with fascinating properties and applications. Here are some remarkable aspects of this compound:

Unique Structure: This compound features a complex structure that includes both thioic acid functionality and an ethoxycarbonyl group, combining elements that can lead to interesting chemical behavior.
Biological Significance: Due to its thioic acid moiety, compounds like this one often exhibit potential as bioactive small molecules. This can include antimicrobial, antifungal, or even anticancer properties.
Versatility in Synthesis: The synthesis of this compound can involve various reaction mechanisms, making it a valuable target for research in organic chemistry. Its synthesis and characterization can aid in developing laboratory skills for students.
Potential Applications: Investigating derivatives of this compound may lead to the discovery of new pharmaceuticals or agrochemicals, expanding the horizon for medicinal chemistry and agricultural sciences.
Environmental Considerations: The study of similar compounds often includes their degradation pathways and environmental impact, making them important in the context of sustainability and ecological balance.

In summary, N-(4-bromo-3-methyl-phenyl)-1-ethoxycarbonylsulfanyl-methanimidothioic acid is not just a name; it represents a realm of research opportunities. As Dr. Marie Curie once said, "Nothing in life is to be feared, it is only to be understood." Through understanding compounds like this one, we can unlock potential innovations in chemistry and beyond.