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2-Mercapto-1,3-benzoxazole-5-carboxylic acid

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Identification
Molecular formula
C8H5NO2S
CAS number
3273-77-2
IUPAC name
2-sulfanyl-1,3-benzoxazole-5-carboxylic acid
State
State

At room temperature, the compound is typically in a solid state, often presenting as a crystalline powder.

Melting point (Celsius)
256.00
Melting point (Kelvin)
529.15
Boiling point (Celsius)
492.00
Boiling point (Kelvin)
765.15
General information
Molecular weight
195.20g/mol
Molar mass
195.2000g/mol
Density
1.4870g/cm3
Appearence

The compound typically appears as a solid with a crystalline structure. It can be white to light yellow in color, depending on purity and form.

Comment on solubility

Solubility of 2-sulfanyl-1,3-benzoxazole-5-carboxylic acid

The solubility of 2-sulfanyl-1,3-benzoxazole-5-carboxylic acid is influenced by several factors, which can lead to unique solubility characteristics:

  • Polarity: The presence of both a carboxylic acid group and a sulfanyl group contributes to the overall polarity of the compound. This can enhance solubility in polar solvents such as water.
  • Hydrogen Bonding: The carboxylic acid functional group can engage in hydrogen bonding with water molecules, further facilitating solubility.
  • pH Sensitivity: The solubility may vary with pH. In acidic conditions, the carboxyl group may remain protonated, affecting solubility dynamics.

Generally, 2-sulfanyl-1,3-benzoxazole-5-carboxylic acid is expected to exhibit moderate solubility in aqueous solutions, predominantly due to its ionic nature when dissociated. However, its solubility in non-polar solvents can be significantly limited. As a result, it is essential to consider the solvents used when evaluating the solubility of this compound.

In conclusion, understanding the solubility properties of 2-sulfanyl-1,3-benzoxazole-5-carboxylic acid can be crucial for applications in various fields, including pharmaceuticals and materials science.

Interesting facts

Interesting Facts About 2-Sulfanyl-1,3-benzoxazole-5-carboxylic Acid

The compound 2-sulfanyl-1,3-benzoxazole-5-carboxylic acid is a fascinating member of the benzoxazole family, and its unique structure offers a myriad of opportunities for scientific exploration.

Chemical Properties and Applications

This compound is notable for its potential applications in

  • Pharmaceutical development: Due to its biologically active structure, it has been investigated for various therapeutic uses.
  • Antimicrobial properties: Compounds similar to 2-sulfanyl-1,3-benzoxazole-5-carboxylic acid have been shown to possess significant antimicrobial activities, paving the way for the development of new antibiotics.
  • Fluorescent materials: The design and synthesis of novel fluorescent dyes for bioimaging applications can be enhanced by the incorporation of benzoxazole derivatives.

Chemical Structure Insights

The structure of 2-sulfanyl-1,3-benzoxazole-5-carboxylic acid showcases a benzoxazole ring, a heterocyclic component that is formed by the fusion of a benzene and an oxazole ring. The presence of the sulfanyl group contributes to the compound's reactivity and potential as a chemical building block.

Research Trends

Recent scientific attention on this compound reflects the broader trend towards exploring:

  • Green Chemistry: Methods for synthesizing compounds like 2-sulfanyl-1,3-benzoxazole-5-carboxylic acid using environmentally friendly processes.
  • Computational chemistry: Using computational models to predict the behavior and interactions of such compounds at the molecular level.
  • Bioactivity: Research into its effects on various biological systems, which could lead to breakthroughs in medicine.

In conclusion, the increasing interest in compounds like 2-sulfanyl-1,3-benzoxazole-5-carboxylic acid highlights the significance of chemistry in both academic and practical realms. As we continue to investigate its properties, there is no telling what innovative applications may emerge!