Adsorption and inhibition behavior of 2,5-bis(ethyldisulfanyl)-1,3,4-thiadiazole (DMTDA) andN-((6-methyl-1H -benzo[d][1,2,3]triazol-1-yl)methyl)-N-octyloctan-1-amine (EAMBA) as corrosion inhibitors contained in copper foil roll-ing oil have been investigated using gravimetric and electrochemical techniques. Meanwhile, scanning electron microscopy (SEM) and energy dispersive spectrometer (EDS) have been employed to observe the surface topography and analyze the components on copper foil. The results show that the rolling oil containing DMTDA and EAMBA can signiifcantly decrease the dissolution rate and increase the inhibition efifciency of samples, especially in the case of best compounded rolling oil system. The SEM and EDS investigations also conifrmed that the protection of the copper foil surface is achieved by strong adsorption of the molecules which can prevent copper from being corroded easily. Reactivity descriptors of the corrosion inhibitors have been calculated by the density functional theory (DFT) and the reactivity has been analyzed through the molecular orbital and Fukui indices. Active sites of inhibitor are mainly concentrated on the ring and the polar functional groups, and in the meanwhile, the distribution is helpful to form coordination and backbonding among molecules and then to form stable adsorption on the metal surface. And this work provides theoretical evidence for the selection of corrosion inhibitors contained in copper foil rolling oil.