Sulfhydric collectors and their derivatives’ structure computer modeling results, using Chem3D software, are presented. Ball-and-stick models and Stewart—Brigleb's models were constructed for sulfhydric collectors from xanthates and organodithiophosphate classes and a number of their derivatives. Merits and demerits of these models are discussed. By means of computer software, partial atomic charge changes in different dithiophosphoric acids were calculated.