Multifunctional bismuth sulfide (Bi2S3) nanomaterials exhibit significant potential as nanomedicines for the diagnosis and treatment of cancer. These nanomaterials act as excellent photothermal agents and radiation sensitizers for the treatment of tumors, and they can also act as contrast agents for computed tomography (CT) imaging, photoacoustic imaging (PA), and other forms of imaging to provide real-time tumor monitoring and testing guidance. Compared with other nanomaterials, Bi2S3 nanomaterials can readily adapt to different applications by virtue of the fact that they can be easily functionalized.However, these nanomaterials have some limitations that cannot be ignored and need to be addressed,such as poor biocompatibility, toxicity, and low chemical stability. It is widely believed that appropriate functionalization of Bi2S3 nanomaterials could remedy such defects and significantly improve performance. This review summarizes the ways in which Bi2S3 nanomaterials can be functionalized and discusses their applications in cancer theranostics over the last few years, focusing particularly on imaging and therapy. We also discuss issues relating to how Bi2S3 nanomaterials can be analyzed,including how we might be able to use these systems to inhibit and treat tumors and how current limitations might be overcome to improve treatment efficacy. Finally, we hope to provide inspiration and guidance as to how we might create a more optimized multifunctional nano-system for the diagnosis and treatment of tumors.