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:	1972
	Name:	N-{[3,5-bis(trifluoromethyl)phenyl]amino}-N'-methylcarbamimidothioic acid
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Methyl-1-(3,5-bistrifluoromethylphenyl)thiosemicarbazide
	Labels:
	CAS:	24095-80-5
	InChi Code:	InChI=1S/C10H9F6N3S/c1-17-8(20)19-18-7-3-5(9(11,12)13)2-6(4-7)10(14,15)16/h2-4,18H,1H3,(H2,17,19,20)

Properties

M14.pLD50: Acute oral toxicity in rat as log(1/LD50) [-log(mmol/kg)] i

Value	Source or prediction
2.884	experimental value
2.0013	Tab2.Model_14: PFC oral rat LD50 (Training set)