In this experiment, two similar molecules with bifunctional groups have been characterized to prove theadvantages of dual-anchor molecular coating in the interfacial modification of the copper foil. The physicochemicalproperties of the modified copper foils have been studied. The obtained results indicate thatthe anti-corrosion performance and peeling strength were significantly improved for the copper foil treatedwith (2-(Methylthio)pyrimidin-4-yl)methanamine (MET), whose bonding information was analyzedvia the density functional theory calculation. It was found that the S-Cu and N-Cu bonds were bothformed on the Cu (1 1 1) surface for MET coating, and the adsorption of the double anchor pointsimproves the stability of the interface. The peeling test exhibits the function of MET coating as the adhesionpromotor between low-surface profile copper and resin for high-speed signal transmission.