An insight into methimazole phototautomerism: Central role of the thiyl radical and effect of benzo substitution
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DOI: 10.1016/j.molstruc.2018.02.013
Abstract: Abstract The thione/thiol tautomerism in methimazole (1-methyl-2-thioimidazole; MTI) and 1-methyl-2-thiobenzimidazole (MTBI) has been investigated by matrix isolation infrared spectroscopy and quantum chemical calculations performed at the DFT(B3LYP)/6-311++G(d,p) level. The two compounds were shown to pass… read more here.
Keywords: thiol; thione thiol; thione; thione form ... See more keywords