In the study, zinc methyl mercaptobenzimidazole (MMBZ) was synthesized by one-step method. MMBZ was detecued and characterized by FTIR, UV-Vis, XRD, TG-DSC. Its micro-structure and intrinsic regularity were revealed. Chemical bond types into MMBZ molecule were revealed by FTIR. The final product was determined MMBZ. There absorption peaks were detected by UV-Vis at 219.6, 245.5, 302.2 nm respectively, due to n→σ*, π→π*, π→π* electronic transitions, led by S—C, benzene and five element heterocyclic in MMBZ molecule. It could provide experimental basis with enterprise to test MMBZ product quality and speculate its structure. It was shown that MMB was a ligand of MMBZ, and its basic structure of MMB was retained still by XRD spectra. The structure of MMBZ molecule was amorphous. Two kinds of information were detected with TG-DSC as quality change and thermal effect. There were five absorption peaks of 67.5, 155.3, 253.7, 324.8, 391.3 ℃, due to impurity solvent decomposition peak, phase transition peak and decomposition of MMBZ respectively. The scheme of one step preparation of composite environment-friendly rubber antioxidant MMBZ was feasible. The structure of MMBZ could be speculated by results of its detecting. It could provide the basis of experimental data on association MMBZ performance, exploring its anti-aging mechanism and extending the scope of MMBZ application.