Herein, dithiocarbamate-modified biochar (BC-HDTC) was successfully synthesized with nitric acid (HNO3), thionyl chloride (SOCl2), branched PEI and carbon disulfide (CS2). The effective anchoring of amine and dithiocarbamate groups onto the surface of the biochar was proven by SEM, FTIR, XPS, N2 adsorption–desorption experiment. The batch experiments demonstrated BC-HDTC can selectively remove 98% Pb(II) within multi-metals solution when pH = 5, T = 30 °C. The impact of variations on the BC-HDTC were researched (pH, contact duration, Pb(II) original concentration).The sorption kinetics (pseudo-first-order, pseudo-second-order, intra-particle diffusion model) and isotherm modeling (Langmuir, Freundlich, and tempkin models) of Pb(II) on BC-HDTC were investigated. The adsorption process was depicted to attain equilibrium in less than 20 min and to fit the Langmuir isotherms and pseudo-2nd-order kinetics satisfactorily. The complexation of functional groups of HDTC (amine/imine and dithiocarbamate) with Pb(II) as well as the ion exchange between Na(I) and Pb(II) are the main adsorption mechanisms. Pb(II) onto BC-HDTC was endothermic and spontaneous, according to thermodynamic parameters. After 4 consecutive adsorption-desorption cycles, Pb removal efficiency of BC- HDTC remained over 90%. This work revealed the significant potential for Pb(II) contamination of BC-HDTC, a valuable and reusable adsorbent.