The performance of a thioctic acid (TA) conjugate [ Chemical name is 5-(1,2-dithiolan-3-yl)-N-(6-ethoxybenzo thiazol - 2yl) pentanamide [TA-2A-6E-BT], as green corrosion inhibitor for carbon steel (L80) sheets in Khuff gas media was demonstrated using experimental techniques viz. weight loss, potentiodynamic polarization, electrochemical impedance spectroscopy. Obtained results from experimental data are well corroborated with quantum mechanical calculations. Synthesized green corrosion inhibitor, TA-2A-6E-BT based on natural building block, has not been reported previously in the literature. This novel scaffold retarded the degradation of carbon steel (L80) in Khuff gas media which is experimentally substantiated by above characteristic studies. With regard to its mechanism of inhibition of corrosion, based on the polarization study parameters, the inhibitor is demonstrated to have performed as mixed mode inhibitor. © 2019 IOP Publishing Ltd.