It is a red volatile solid that is classified as a transition metal thiolate complex.

[3] Synthesis involves treating triiron dodecacarbonyl with dimethyl disulfide: It can be purified by recrystallization or by sublimation.

The methylthioirontricarbonyl dimer is a butterfly cluster compound, consisting of two iron atoms with distorted square pyramidal coordination geometry.

The average Fe-S-Fe bond angle is relatively small at 68.33°.

[4][5] The structurally related compound [Fe(CO)3S]2 has idealized C2v symmetry.