Quantum chemical and theoretical kinetics studies on the reaction of carbonyl sulfide with H, OH and O(3P)

► The PES for the reaction of COS with H, OH and O are explored. ► The rate coefficients are calculated by TST and RRKM theories. ► The fastest chemical sink among the above reactions is H + COS. ► The OH + COS reaction is not an important chemical sink for COS in the atmosphere.