The Disperse Yellow 114, with the CAS registry number of 61968-66-9, is also known as 3-Pyridinecarbonitrile, 1, 6-dihydro-2-hydroxy-1, 4-dimethyl-6-oxo-5-[2-[3-(phenylsulfonyl)phenyl]diazenyl]-. This chemical's molecular formula is C₂₀H₁₆N₄O₅S and molecular weight is 408.43. What's more, its systematic name is called 5-[3-(Benzenesulfonyl)phenyl]azo-2-hydroxy-1, 4-dimethyl-6-oxo-pyridine-3-carbonitrile. Besides, this chemical is prepared by 1, 4-Dimethyl-3-cyano-6-hydroxypyrid-2-one.

Physical properties about Disperse Yellow 114 are: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 8; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 131.57 Å²; (11)Index of Refraction: 1.658; (12)Molar Refractivity: 110.13 cm³; (13)Molar Volume: 298.9 cm³; (14)Polarizability: 43.66×10^-24 cm³; (15)Surface Tension: 56.7 dyne/cm; (16)Density: 1.36 g/cm³; (17)Flash Point: 300.4 °C; (18)Enthalpy of Vaporization: 90.35 kJ/mol; (19)Boiling Point: 573 °C at 760 mmHg; (20)Vapour Pressure: 5.7E-14 mmHg at 25 °C.

Uses: it can be used as dye. It is suitable for thermosol dyeing and high temperature-pressure dyeing methods dye Polyester fabric, and not suitable for carrier dyeing methods.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1c(c(n(c(=O)c1N=Nc2cccc(c2)S(=O)(=O)c3ccccc3)C)O)C#N
(2) InChI: InChI=1/C20H16N4O4S/c1-13-17(12-21)19(25)24(2)20(26)18(13)23-22-14-7-6-10-16(11-14)29(27,28)15-8-4-3-5-9-15/h3-11,25H,1-2H3
(3) InChIKey: ZRHDHYFKPNAIKY-UHFFFAOYAZ