CAS 4753-94-0

2-Thiophenecarbonyl isocyanate

Description:

2-Thiophenecarbonyl isocyanate, with the CAS number 4753-94-0, is an organic compound characterized by the presence of both a thiophene ring and an isocyanate functional group. This compound typically appears as a colorless to pale yellow liquid and is known for its distinctive odor. It is soluble in organic solvents such as dichloromethane and ether but is generally insoluble in water due to its hydrophobic thiophene structure. The isocyanate group (-N=C=O) is highly reactive, making this compound useful in various chemical reactions, particularly in the synthesis of pharmaceuticals and agrochemicals. It can participate in nucleophilic addition reactions, forming ureas or carbamates when reacted with amines or alcohols. Additionally, 2-thiophenecarbonyl isocyanate may exhibit biological activity, which can be explored for potential applications in medicinal chemistry. However, due to the reactivity of the isocyanate group, it should be handled with care, as it can be toxic and irritant to skin and respiratory systems.

Formula: C₆H₃NO₂S

InChI: InChI=1S/C6H3NO2S/c8-4-7-6(9)5-2-1-3-10-5/h1-3H

InChI key: InChIKey=AGXGGAVHNIUTIJ-UHFFFAOYSA-N

SMILES: C(N=C=O)(=O)C1=CC=CS1

Synonyms:

• 2-Thiophenecarboxylic acid, anhydride with isocyanic acid
• 2-Thenoyl isocyanate
• Isocyanic acid, anhydride with 2-thiophenecarboxylic acid
• 2-Thiophenecarbonyl isocyanate