10967/188 - QDB Compounds

QsarDB Repository

Ran, Y.; He, Y.; Yang, G.; Johnson, J. L. H.; Yalkowsky, S. H. Estimation of aqueous solubility of organic compounds by using the general solubility equation. Chemosphere 2002, 48, 487–509.

Compound

ID:231
Name:S,S,S-Tributyl phosphorotrithioate
Description:Name was changed from Tributylphosphorotrithioate to S,S,S-Tributyl phosphorotrithioate
Labels:
CAS:78-48-8
InChi Code:InChI=1S/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-5.14

experimental value

-3.75

Eq.1: General solubility equation (Test set to verify GSE)

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