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:338
Name:Disulfoton
Description:
Labels:
CAS:298-04-4
InChi Code:InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
4.02

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.23

experimental value

-4.5

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

Links to External Resources