A novel double H-bonds multimer absorbent for H2S absorption was designed via intermolecular self-assembly using DBU and EG under the guidance of QCC. The formation mechanisms of multimer absorbents and the absorption mechanisms between those absorbents and H2S were explored by QCC and experiments. It was found that the formed DBU-2EG multimer absorbent at the DBU/EG molar ratio of 1:2 has two intermolecular H-bonds with different strengths between DBU and EG, which can combine with H2S via weak H-bond. Furthermore, the characteristics analysis of multimer absorbents confirmed the above mechanisms. Experimental results indicated that the DBU-2EG has the highest H2S solubility of 2.64 mol/mol (DBU) with a low viscosity value of 15.12 mPa·s at 25 ℃ and desorption temperature below 60 ℃ at 100 kPa. The multimer absorbent exhibits great potential in the H2S capture process. In addition, this research provides an effective strategy for the design of absorbents.