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:	982
	Name:	N-[4-(methylsulfanyl)-6-[(propan-2-yl)imino]-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene]propan-2-amine
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Prometryn
	Labels:
	CAS:	7287-19-6
	InChi Code:	InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

Value	Source or prediction
2.85	experimental value
2.8091	Tab2.Model_2: logKoc (Training set)