To investigate the dynamics of thionated PEtOx in solution on a molecular level, we performed all-atom molecular dynamics (MD) simulations on small 20-mers of poly(2-ethyl-2-oxazoline)s with different degrees of thionation (0, 25, 75 and 100%). After building and optimizing the geometry of single chains within Avogadro 1.14*CM1A charges with OPLS-AA parameters were derived through PolyParGen. While to our knowledge this class of polythioamides has not been simulated before, the chosen force field has been successfully used in recent works for poly(2-alkyl-2-oxazoline)s of the same length, as well as for thioamide containing small molecules. Chains were solvated with TIP3P water 62 in a cubic box with a minimum border-tosolute distance of 1 nm. After initial steepest descent minimization, a short 100 ps-long equilibration in NVT was performed followed by 10 ns in NPT, using the Berendsen thermostat and barostat respectively (300 K at 1 bar). For a subsequent 400 ns-long simulation run, the Velocity-rescale thermostat and the Parrinello-Rahman barostat were applied. The LINCS algorithm was used for constraining H-bonds and the Particle Mesh Ewald approach 67 was applied to handle long-range electrostatics. Simulations were performed with GROMACS 2023.3. All thionation degrees were investigated by simulating three replicas respectively,