Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 1822 | |
|---|---|---|
| Name: | 1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,3-Diethyl-2-thiobarbituric acid | |
| Labels: | ||
| CAS: | 5217-47-0 | |
| InChi Code: | InChI=1S/C8H12N2O2S/c1-3-9-6(11)5-7(12)10(4-2)8(9)13/h3-5H2,1-2H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 1.65 |
experimental value |
| 2.094 |
Tab2.Model_1: P. promelas LC50 (Training set) |