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:	1209
	Name:	2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzothiazole. 2.2 -dithiobis-
	Labels:
	CAS:	120-78-5
	InChi Code:	InChI=1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
-0.909174539	experimental value
0.0141	Tab2.Model_5: Metab. biotransf. fish (Training set)