Correlations between n-octanol/water partition coefficients and RP-HPLC capacity factors of 1,2-dithiole-3-thiones and 1,2-dithiol-3-ones

From the experimental n-octanol/water partition coefficients (log P-oct) of 33 1,2-dithiole-3-thiones and 18 1,2-dithiol-3-ones and their respective log K, Collander-type relationships were established at various volume fractions of methanol in the mobile phase and on an ODS 2 stationary phase. Collander-type relationships were also established between log P-oct and log k(0) (capacity factor extrapolated to 0% of organic modifier). The correlations are good, and their parameters depend on the volume fraction of organic modifier, as expected. These relationships were used to evaluate the log P-oct of seven very lipophilic dithiolethiones (3.7 < log P < 7.2). Extrapolated values were compared with calculated values from fragmental constants determined in a previous work and with those given by Rekker.