A new MOFs adsorbent was prepared by post-functionalization of UiO-66-NH2 with 2,5-Dimercapto-1,3,4thiadiazole and utilized to remove the Hg(II) in water selectively. The UiO-66-types were detected by Fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscope (FESEM), BrunauerEmmett-Teller (BET) and zeta potential instruments. The adsorption properties of the new MOFs adsorbent were investigated by batch experiments. The actual maximum adsorption amount was 670.5 mg/g at the optimal pH of 3. Adsorption kinetic and isotherm models were exceedingly fitted to pseudo-second-order and Langmuir/ Dubinin-Radushkevich, respectively. The adsorption process and mode were geared to monolayer and chemisorption, the removal rate was directly proportional to the square of mercury ions concentration. The UiO-66DMTD adsorbent was easy to be regenerated and the removal rate decreased by only 13.5% after ten consecutive cycles. The results of FTIR, XRD and XPS suggested that the adsorption mechanism lay on the complexation reaction between Hg(II) and thiol/nitrogen-containing groups. Moreover, compared with other competitive metal ions, viz., Zn(II), Co(IV), Ni(II), Cd(II), Mg(II), Fe(III), Ca(II) and Cu(II), the UiO-66-DMTD demonstrated an outstanding selective adsorption for Hg(II). These results manifested that the UiO-66-DMTD was a latent adsorbent for the efficient and selective removal of Hg(II) in wastewater.