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: | 596 | |
|---|---|---|
| Name: | 2-Ethylthiophene | |
| Description: | In original publication melting point for this compound was denoted as <25C. | |
| Labels: | ||
| CAS: | 872-55-9 | |
| InChi Code: | InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3 |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 3.01 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -2.59 |
experimental value |
| -2.32 |
Eq.1: General solubility equation (Test set to verify GSE) |