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:	1314
	Name:	ethyl (2S)-2-{[dimethoxy(sulfanylidene)-λ⁵-phosphanyl]sulfanyl}-2-phenylacetate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Fenthoate
	Labels:
	CAS:	2597-03-7
	InChi Code:	InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3/t11-/m0/s1

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
-0.749174539	experimental value
-0.6389	Tab2.Model_5: Metab. biotransf. fish (Training set)