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Theoretical charge density analysis of the thioureido based compound 4-methyl-3-thiosemicarbazide (MeTSC) is used in this study with the aim to provide additional insight into electronic features of the thioureido sulfur acceptor and the corresponding DH⋯S hydrogen bonding (DN, C). The present work is motivated by our earlier experimental charge density study on the same compound that pointed out...
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