CAS 956576-58-2

Methyl 5-[(diethylamino)carbonyl]-2-isothiocyanato-4-methyl-3-thiophenecarboxylate

Description:

Methyl 5-[(diethylamino)carbonyl]-2-isothiocyanato-4-methyl-3-thiophenecarboxylate, with the CAS number 956576-58-2, is a synthetic organic compound characterized by its complex structure, which includes a thiophene ring, isothiocyanate, and diethylamino groups. This compound typically exhibits properties associated with isothiocyanates, such as potential biological activity and reactivity towards nucleophiles. The presence of the diethylamino group suggests it may have basic properties, influencing its solubility and interaction with biological systems. Additionally, the methyl ester functional group indicates that it can undergo hydrolysis to release the corresponding carboxylic acid. The compound's unique structure may confer specific pharmacological properties, making it of interest in medicinal chemistry and drug development. Its stability, reactivity, and potential applications would depend on the conditions under which it is used, including pH, temperature, and the presence of other reactive species. As with many synthetic compounds, safety and handling precautions are essential due to potential toxicity or reactivity.

Formula: C₁₃H₁₆N₂O₃S₂

InChI: InChI=1S/C13H16N2O3S2/c1-5-15(6-2)12(16)10-8(3)9(13(17)18-4)11(20-10)14-7-19/h5-6H2,1-4H3

InChI key: InChIKey=WZCFQBZCBUCGBJ-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(N=C=S)SC(C(N(CC)CC)=O)=C1C

Synonyms:

• 3-Thiophenecarboxylic acid, 5-[(diethylamino)carbonyl]-2-isothiocyanato-4-methyl-, methyl ester
• Methyl 5-[(diethylamino)carbonyl]-2-isothiocyanato-4-methyl-3-thiophenecarboxylate