Wen, Y.; Su, L. M.; Qin, W. C.; Fu, L.; He, J.; Zhao, Y. H. Linear and non-linear relationships between soil sorption and hydrophobicity: Model, validation and influencing factors. Chemosphere 2012, 86, 634–640.
Compound
| ID: | 576 | |
|---|---|---|
| Name: | Thiophanate-methyl | |
| Description: | ||
| Labels: | training, Organic_sulfides | |
| CAS: | 23564-05-8 | |
| InChi Code: | InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22) |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 3.25 |
experimental value |
| 1.57 |
Eq1: Linear correlation with logP (Training set) |
| 1.68 |
Eq2: Non-linear regression model (Training set) |
| 1.68 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1024338 | US EPA CompTox Dashboard |