Papa, E.; Gramatica, P. QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure. Green Chem. 2010, 12, 836-843.
Compound
| ID: | 214 | |
|---|---|---|
| Name: | S-ethyl N,N-dipropylcarbamothioate | |
| Description: | Original non-IUPAC name was: carbamothioic acid, dipropyl-, S-ethyl ester | |
| Labels: | Training | |
| CAS: | 759-94-4 | |
| InChi Code: | InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.74 |
experimental value |
| -1.56 |
Eq1: Full Model (Training set) |