The　properties　of　sulfides　are　important　in　the　design　of　new　iron-steel　materials.　In　this　study,　first-principles　calculations　were　used　to　estimate　the　structural　stability,　mechanical　properties,　electronic　structures　and　thermal　properties　of　XS　(X　=　Ti,　V,　Cr,　Mn,　Fe,　Co,　Ni)　binary　compounds.　The　results　reveal　that　these　XS　binary　compounds　are　thermodynamically　stable,　because　their　formation　enthalpy　is　negative.　The　elastic　constants,　C-ij,　and　moduli　(B,　G,　E)　were　investigated　using　stress-strain　and　Voigt-Reuss-Hill　approximation,　respectively.　The　sulfide　anisotropy　was　discussed　from　an　anisotropic　index　and　three-dimensional　surface　contours.　The　electronic　structures　reveal　that　the　bonding　characteristics　of　the　XS　compounds　are　a　mixture　of　metallic　and　covalent　bonds.　Using　a　quasi-harmonic　Debye　approximation,　the　heat　capacity　at　constant　pressure　and　constant　volume　was　estimated.　NiS　possesses　the　largest　C-P　and　C-V　of　the　sulfides.　(C)　2017　Elsevier　B.V.　All　rights　reserved.