Abstract: Sulfur-based solid waste generated from wet oxidation desulfurization is difficult to utilize as a resource due to the tight combination of impurities and elemental sulfur, posing a common challenge in the coking industry. In this study, by tracing the material flow and occurrence state of components, a ternary impurity classification system of “water-soluble impurities (WI) - dithiophilic impurities (DI) - occluded impurities (OI)” was constructed, and the microscopic binding mechanism was analyzed, thereby proposing feasible resource utilization pathways. The results show that WI is the key factor affecting batch stability; due to its large hydrophobicity difference from sulfur, water washing enables efficient removal, increasing sulfur purity from 81.03% to 93.86%. The “conjugation-encapsulation” dual synergistic inhibition mechanism formed by DI based on their dithiophilic property is the key bottleneck restricting the efficient purification of sulfur. OI have a low content (approximately 1.6%) and can be separated by physical means. The compositions of DI and OI are stable and less affected by the desulfurization process, which lays a foundation for common research on resource utilization. Based on the differences in pyrolysis and dissolution characteristics of the components, the applicability and economic limitations of thermal-driven and leaching purification methods are reviewed. On this basis, two high-value pathways are proposed: first, coupling with the preparation of insoluble sulfur and linking with the coking system, taking advantage of the efficient impurity removal by gas-phase thermal separation while alleviating energy consumption and exhaust gas issues; second, after removing WI, using the modification gain of DI to formulate asphalt modifiers. This study provides a theoretical basis and an engineerable technical route for the clean and high-value utilization of coking sulfur-based solid waste.