3-Pyridazinamine,6-(ethylthio)- (89465-42-9)

The 3-Amino-6-(ethylthio)pyridazine, with CAS registry number 89465-42-9, has the systematic name of 6-(ethylsulfanyl)pyridazin-3-amine. Besides this, it is also called 3-pyridazinamine, 6-(ethylthio)-. And the chemical formula of this chemical is C₆H₉N₃S.

Physical properties of 3-Amino-6-(ethylthio)pyridazine: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 96; (8)ACD/KOC (pH 7.4): 145; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 77.1 Å²; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 43.237 cm³; (15)Molar Volume: 126.025 cm³; (16)Polarizability: 17.141×10^-24cm³; (17)Surface Tension: 63.091 dyne/cm; (18)Enthalpy of Vaporization: 64.204 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1nnc(N)cc1)CC
(2)InChI: InChI=1/C6H9N3S/c1-2-10-6-4-3-5(7)8-9-6/h3-4H,2H2,1H3,(H2,7,8)
(3)InChIKey: KQOKIRODXNMOMV-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C6H9N3S/c1-2-10-6-4-3-5(7)8-9-6/h3-4H,2H2,1H3,(H2,7,8)
(5)Std. InChIKey: KQOKIRODXNMOMV-UHFFFAOYSA-N