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209409-98-3

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Basic Information
CAS No.: 209409-98-3
Name: 5-(2,6-DICHLOROPHENYL)-2-PHENYLSULFANYLPYRIDAZINO[6,1-F]PYRIMIDIN-6-ONE
Article Data: 2
Molecular Structure:
Molecular Structure of 209409-98-3 (5-(2,6-DICHLOROPHENYL)-2-PHENYLSULFANYLPYRIDAZINO[6,1-F]PYRIMIDIN-6-ONE)
Formula: C19H11Cl2N3OS
Molecular Weight: 400.288
Synonyms: 5-(2,6-dichlorophenyl)-9-phenylsulfanyl-1,3,10-triazabicyclo[4.4.0]deca-2,5,7,9-tetraen-4-one;
Density: 1.45 g/cm3
Boiling Point: 593.3 °C at 760 mmHg
Flash Point: 312.6 °C
PSA: 72.56000
LogP: 5.21450
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Specification

The 5-(2,6-Dichlorophenyl)-2-(phenylsulfanyl)-6H-pyrimido[1,6-b]pyridazin-6-one is an organic compound with the formula C19H11Cl2N3OS. The IUPAC name of this chemical is 5-(2,6-Dichlorophenyl)-2-phenylsulfanylpyrimido[1,6-b]pyridazin-6-one. With the CAS registry number 209409-98-3, it is also named as 6H-Pyrimido[1,6-b]pyridazin-6-one, 5-(2,6-dichlorophenyl)-2-(phenylthio)-. Besides, its molecular weight is 400.288.

Physical properties about 5-(2,6-Dichlorophenyl)-2-(phenylsulfanyl)-6H-pyrimido[1,6-b]pyridazin-6-one are: (1)ACD/LogP: 4.25; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 70.33 Å2; (5)Index of Refraction: 1.713; (6)Molar Refractivity: 107.84 cm3; (7)Molar Volume: 274.9 cm3; (8)Polarizability: 42.75×10-24 cm3; (9)Surface Tension: 56.9 dyne/cm; (10)Density: 1.45 g/cm3; (11)Flash Point: 312.6 °C; (12)Enthalpy of Vaporization: 88.46 kJ/mol; (13)Boiling Point: 593.3 °C at 760 mmHg; (14)Vapour Pressure: 4.79E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C19H11Cl2N3OS/c20-13-7-4-8-14(21)17(13)18-15-9-10-16(23-24(15)11-22-19(18)25)26-12-5-2-1-3-6-12/h1-11H
(2)InChIKey: HVIHYFPILKEGDC-UHFFFAOYAU
(3)Std. InChI: InChI=1S/C19H11Cl2N3OS/c20-13-7-4-8-14(21)17(13)18-15-9-10-16(23-24(15)11-22-19(18)25)26-12-5-2-1-3-6-12/h1-11H
(4)Std. InChIKey: HVIHYFPILKEGDC-UHFFFAOYSA-N