Direct processing of sour, e.g. containing large amounts of acidic H2S and or CO2 molecules, natural gas is of direct interest as vast amounts of it are available and accessible but are underutilized. While sour natural gas is still treated using energy intensive amine absorption/desorption, here we propose and describe a first step in catalytically producing value added chemical and energy carrier, CH3SH and H2, respectively. For this purpose we performed Density Functional Theory (DFT) and microkinetic modelling of CH4 and H2S reaction pathways to form CH3SH and H2 as a first step in elucidating complex yet not explored pathways in oxygen free sour gas reforming. For this purpose we utilized bare unpromoted and K- or Ni-promoted Mo6S8 clusters. This work is in collaboration with Anders Hellman at Chalmers University.