1-benzylsulfanyl-N-(3-chlorophenyl)methanimidothioic acid

Identification

Molecular formula

C₁₄H₁₂ClNS₂

CAS number

57381-96-5

IUPAC name

1-benzylsulfanyl-N-(3-chlorophenyl)methanimidothioic acid

State

This compound is typically a crystalline solid at room temperature. It may exhibit varying degrees of solubility in different organic solvents, and the presence of chlorine and sulfur atoms contributes to its unique physical properties.

Melting point (Celsius)

190.00

Melting point (Kelvin)

463.00

Boiling point (Celsius)

350.00

Boiling point (Kelvin)

623.00

General information

Molecular weight

306.86g/mol

Molar mass

306.8560g/mol

Density

1.3800g/cm³

Appearence

The compound appears as a pale yellow solid under standard conditions, displaying amorphous crystalline characteristics. It may also present slight solubility or a degree of turbidity in organic solvents due to its complex structure.

Comment on solubility

Solubility of 1-benzylsulfanyl-N-(3-chlorophenyl)methanimidothioic acid

The solubility of 1-benzylsulfanyl-N-(3-chlorophenyl)methanimidothioic acid (C₁₄H₁₂ClNS₂) is influenced by its unique molecular structure and functional groups. Here are some important aspects to consider:

Polarity: This compound contains both hydrophobic aromatic rings and hydrophilic thioic acid groups. The balance between these regions can result in limited solubility in polar solvents such as water.
Solvent Compatibility: It may show better solubility in organic solvents like ethanol, acetone, or DMSO, which can effectively solvate the aromatic portions of the molecule.
Effect of Temperature: As with many chemical compounds, increasing temperature might enhance the solubility by providing sufficient energy to overcome intermolecular forces.

In general, while 1-benzylsulfanyl-N-(3-chlorophenyl)methanimidothioic acid may exhibit limited solubility in water, careful selection of organic solvents can lead to effective dissolution. Further experimental data would be essential to quantify its solubility accurately.

Interesting facts

Interesting Facts about 1-benzylsulfanyl-N-(3-chlorophenyl)methanimidothioic acid

1-benzylsulfanyl-N-(3-chlorophenyl)methanimidothioic acid is a fascinating compound that demonstrates the intricate relationships between structure and function in organic chemistry. Here are some intriguing aspects worth noting:

Role in Research: This compound is often studied for its potential applications in pharmaceuticals, especially due to its unique functional groups that can interact with biological systems.
Thioic Acids: As a thioic acid derivative, it contains sulfur, which contributes to its reactivity and potential biological activity, making it a subject of interest in medicinal chemistry.
Chlorophenyl Influence: The presence of a chloro substituent on the phenyl ring is significant, as halogens can greatly influence the electrophilicity of the molecule, affecting its reactivity and interaction with other compounds.
Functional Group Synergy: The combination of a benzyl sulfanyl group and a methanimidothioic acid moiety showcases a fascinating interplay between different functional groups, which can result in unique chemical properties and biological behavior.
Study of Mechanisms: This compound can serve as a model in the study of various mechanistic pathways, helping chemists to understand how structural changes can affect reactivity.

As a compound that bridges the gap between synthetic organic chemistry and medicinal applications, 1-benzylsulfanyl-N-(3-chlorophenyl)methanimidothioic acid exemplifies the rich tapestry of chemical interactions that can lead to new discoveries in drug design and development. Its study encourages chemists to think critically about how molecular structure influences function, making it a prime subject for continued research.