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: | 177 | |
|---|---|---|
| Name: | dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate | |
| Description: | Original non-IUPAC name was: thioperoxydicarbonic diamide, tetramethyl- | |
| Labels: | Training | |
| CAS: | 137-26-8 | |
| InChi Code: | InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.65 |
experimental value |
| -1.12 |
Eq1: Full Model (Training set) |