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5-(Trifluoromethyl)-1,3-benzoxazole-2-thiol

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Identification
Molecular formula
C8H4F3NO1S1
CAS number
74627-58-2
IUPAC name
5-(trifluoromethyl)-1,3-benzoxazole-2-thiol
State
State

At room temperature, 5-(trifluoromethyl)-1,3-benzoxazole-2-thiol exists in the solid state, typically as a powder.

Melting point (Celsius)
42.00
Melting point (Kelvin)
315.15
Boiling point (Celsius)
296.00
Boiling point (Kelvin)
569.15
General information
Molecular weight
221.19g/mol
Molar mass
221.1860g/mol
Density
1.5882g/cm3
Appearence

The compound 5-(trifluoromethyl)-1,3-benzoxazole-2-thiol generally appears as a solid substance at room temperature. It may present as a crystalline powder with a color ranging from white to off-white.

Comment on solubility

Solubility of 5-(trifluoromethyl)-1,3-benzoxazole-2-thiol

The solubility of 5-(trifluoromethyl)-1,3-benzoxazole-2-thiol is influenced by its unique chemical structure, which combines both hydrophobic and polar characteristics. Here are some key points to consider:

  • Solvent Compatibility: This compound is likely to exhibit different solubilities in various solvents. Generally, its trifluoromethyl group contributes to hydrophobicity, suggesting better solubility in organic solvents such as ethanol, methanol, or dimethyl sulfoxide (DMSO).
  • Hydrophilicity and Hydrogen Bonding: The presence of the thiol (-SH) functional group can enhance solubility in polar environments due to its ability to engage in hydrogen bonding. This makes it somewhat soluble in water, albeit potentially limited, depending on concentration and temperature.
  • Influence of Concentration: Solubility may also be concentration-dependent; lower concentrations might present improved solubility due to reduced intermolecular interactions that could lead to precipitation.
  • Temperature Effect: Typically, an increase in temperature could augment solubility for solid compounds like this thiol, thus it is advised to measure solubility at varying temperatures to determine its precise behavior.

In summary, while 5-(trifluoromethyl)-1,3-benzoxazole-2-thiol may show some degree of solubility in both polar and nonpolar solvents, the specific solubility can be quite complex and should be evaluated under controlled experimental conditions. Remember, "solubility is a dance between the solute and solvent," and understanding these interactions is key to working with this compound effectively.

Interesting facts

Interesting Facts about 5-(Trifluoromethyl)-1,3-benzoxazole-2-thiol

5-(Trifluoromethyl)-1,3-benzoxazole-2-thiol is a fascinating compound with a unique structure that combines elements of both organic chemistry and fluorine chemistry. Here are some intriguing points about this compound:

  • Trifluoromethyl Group: The presence of the trifluoromethyl (–CF3) group significantly enhances the compound's chemical stability and lipophilicity, making it of great interest in medicinal chemistry.
  • Biological Activity: Compounds containing thiol functionalities, like this one, are often explored for their biological activity. Thiols can participate in redox reactions, leading to potential uses in pharmaceuticals and agrochemicals.
  • Versatility in Synthesis: This compound showcases the importance of heterocyclic structures in organic synthesis. The benzoxazole core is a common motif in various biologically active compounds.
  • Application in Material Science: The incorporation of fluorine can enhance the properties of materials, lending them improved chemical resistance and thermal stability, making compounds like this suitable for use in high-performance materials.
  • Environmental Impact: While fluorinated compounds are often sought after for their stability, it's crucial to consider their environmental impact, especially in terms of persistence and potential bioaccumulation.

In summary, 5-(trifluoromethyl)-1,3-benzoxazole-2-thiol stands at the intersection of organic synthesis and medicinal applications, illustrating the complexity and utility of modern chemical compounds. As researchers continue to explore its properties, this compound may pave the way for new innovations in chemistry.