Achieving green fuel desulfurization for thiophenic sulfides (TpSs) is a very urgent theme for the production of clean oil. Herein, an aqueous solution of beta-cyclodextrin (beta CD) as a novel desulfurization agent that is environmentally friendly and low cost was approached in the inclusion removal of the TpSs in fuel. It was found that beta CD aqueous solution (beta CD aq) has high selectivity to remove the TpSs in fuel. The desulfurization conditions of the molecular inclusion with beta CD aq are significantly more moderate than those of the existing desulfurization methods. Room temperature is suitable for beta CD aq to remove the three TpSs. The removal efficiency of the three TpSs using beta CD aq was in the order of benzothiophene (56.71%) > dibenzothiophene (51.86%) > thiophene (45.38%) when the temperature was 30 degrees C and the volume ratio of beta CD aq to n-heptane containing 0.1 mg.g(-1) sulfur was 2:1. The inclusion ratio of beta CD and TpS in the formed inclusion complex is 1:1 for all three TpS's, and the TpS can easily enter the cavity of beta CD from its wide end. A reasonable desulfurization mechanism through the molecular inclusion of beta CD in aqueous solution was proposed based on the experimental and computational results. This study indicates that beta CD aq could be developed into a green desulfurization method for the removal of TpSs via molecular inclusion.