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:	774
	Name:	4-[(4-aminophenyl)sulfanyl]aniline
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 4,4'-Thiodianiline
	Labels:
	CAS:	139-65-1
	InChi Code:	InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2

Properties

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

Value	Source or prediction
2.04	experimental value
3.3429	Tab2.Model_2: logKoc (Training set)

Links to External Resources

Link	Resource description
DTXSID9021344	US EPA CompTox Dashboard