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CAS 101714-41-4

:

Thiocyanic acid, 2-(3,4-dihydroxyphenyl)-2-oxoethyl ester (9CI)

Description:
Thiocyanic acid, 2-(3,4-dihydroxyphenyl)-2-oxoethyl ester, also known by its CAS number 101714-41-4, is an organic compound characterized by the presence of a thiocyanate functional group (-SCN) and an ester linkage. This compound features a phenolic structure with two hydroxyl groups at the 3 and 4 positions, contributing to its potential reactivity and biological activity. The ester portion of the molecule is derived from a 2-oxoethyl group, which can influence its solubility and stability in various solvents. Thiocyanic acid derivatives are often studied for their applications in pharmaceuticals and agrochemicals due to their ability to interact with biological systems. The presence of the hydroxyl groups may enhance its antioxidant properties, while the thiocyanate group can participate in various chemical reactions, including nucleophilic substitutions. Overall, this compound's unique structure suggests potential utility in medicinal chemistry and material science, although specific applications would depend on further research and development.
Formula:C9H7NO3S
InChI:InChI=1S/C9H7NO3S/c10-5-14-4-9(13)6-1-2-7(11)8(12)3-6/h1-3,11-12H,4H2
InChI key:SVFLBLCWKKQKDW-UHFFFAOYSA-N
SMILES:C1=CC(=C(C=C1C(=O)CSC#N)O)O
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