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Novel bulk single-component sulfide catalysts were prepared under the conditions of solid-phase dispersion of МoS2 molybdenite at various mechanical treatment times and various amounts of polar and nonpolar liquid microadditives. The chemical degradation of the samples in the air was found to lead to the formation of surface sulfate anions that shield catalytically active Mo sites. Indirect correlations of the hydrodesulfurization ability of MoS2 powders with the concentration of sulfate anions on their surface, and with the aqueous pH in the powder suspensions, including the dielectric permittivity of the organic dopants, can serve as reference indicators of high catalytic activity in the model reaction of dibenzothiophene hydrogenolysis. The study identified the most active sample able to run for an extended time during multiple cycles without losing its catalytic properties. Also, the paper discusses the dibenzothiophene conversion routes, the product composition, the probable structure of active sites in the catalysts, and the desulfurization degree of diesel fuel components.