The inhibition of corrosion of 1018 mild steel in sulfuric acid by thiourea and its derivatives has been investigated. The effectiveness of inhibition is rationalized through the use of two molecular parameters, viz., the electron density associated with the sulfur atom and the topology of each thiourea molecule. The electron density of the sulfur atom is derived from self-consistent field molecular orbital calculations. The structural properties of the thiourea molecules are parameterized using a topological index.

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