Dimethyl sulfur compounds including dimethylsulfoniopropionate (DMSP), dimethyl sulfide (DMS), and dimethyl sulfoxide (DMSO), play a crucial part in global sulfur cycling. The eastern Indian Ocean (EIO), characterized by its remarkable diversity of biomes and climate dynamics, is integral to global climate regulation. However, the regulation mechanism of DMS (P, O) in the EIO remains to be elucidated in detail. This paper presented a field survey aimed at investigating the spatial distribution of DMS (P, O) and their relationships with environmental and biological factors in the EIO. The surface concentrations of DMS, DMSPt, and DMSOt varied from 0.07 to 7.37 nmol/L, 0.14 to 9.17 nmol/L, and 0.15 to 3.32 nmol/L, respectively, and their distributions are attributed to high Chl-a concentration near Sri Lanka and the influence of ocean currents (Wyrtki jets, Bay of Bengal runoff). Higher concentrations of DMS (P) and DMSOt were predominantly observed in water columns shallower than 75m and deeper than 75m deep, respectively. The monthly DMS fluxes in the study area peaked in August. Temperature and Dissolved Silica Index (DSI) were the key environmental determinants for DMS distribution, while nitrate (NO3-) was the primary factor for both DMSPt and DMSOt. In terms of biological factors, Prochlorococcus and Synechococcus were significant contributors to DMS (P, O) dynamics. Synechococcus was the dominant influence on the DMS source and DMSPt sink, whereas Prochlorococcus primarily consumed DMSOt. Furthermore, the structural equation modeling (SEM) revealed the relationship between DMS, DMSPt, DMSOt, and the key environmental/biological factors, as well as among them, and together they formed a co-regulatory network in the EIO. This contributes significantly to the advancement of global ecosystem models for DMS (P, O).