Dithiocarbamates (DTCs), known for their diversity among organosulphur compounds, have sparked great scientific interest due to their intriguing characteristics and prospective applications. This review presents a comprehensive overview of DTC synthesis and aims to highlight the recent advancements. This article mainly focuses on the synthesis of DTCs from Baylis-Hillman adducts. The crystallographic study helps in interpreting intramolecular interactions in the solid state thus broadening their synthetic applicability. Hirshfeld surface analysis focuses on intermolecular interactions in DTCs’ crystal packing. Density Functional Theory (DFT) study contributes to the understanding of electronic properties and provides a theoretical framework for predicting their reactivity and stability. Molecular docking interprets the interactions of diverse biological targets with DTCs and provides significant insights into potential therapeutic uses.