4,5-Bis(benzylsulfanyl)-2-phenyl-pyridazin-3-one supplier

Name
4,5-bis(benzylsulfanyl)-2-phenyl-3(2H)-pyridazinone
EINECS
CAS No. 5273-32-5
Density 1.2 g/cm³
Solubility
Melting Point
Formula C₂₄H₂₀N₂OS₂
Boiling Point 554.8 °C at 760 mmHg
Molecular Weight 416.5584
Flash Point 289.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,5-Bis(benzylthio)-2-phenyl-3(2H)-pyridazinone;
PSA 85.49000
LogP 5.81710

4,5-Bis(benzylsulfanyl)-2-phenyl-pyridazin-3-one Specification

The 4,5-Bis(benzylsulfanyl)-2-phenyl-pyridazin-3-one, with the CAS registry number 5273-32-5, is also known as 4,5-Bis(benzylthio)-2-phenyl-3(2H)-pyridazinone. This chemical's molecular formula is C₂₄H₂₀N₂OS₂ and molecular weight is 416.5584. What's more, its IUPAC name and systematic name are the same which is called 4,5-Bis(benzylsulfanyl)-2-phenylpyridazin-3-one.

Physical properties about 4,5-Bis(benzylsulfanyl)-2-phenyl-pyridazin-3-one: (1)ACD/LogP: 5.50; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 83.27 Å²; (7)Index of Refraction: 1.65; (8)Molar Refractivity: 126.44 cm³; (9)Molar Volume: 346.4 cm³; (10)Surface Tension: 49.7 dyne/cm; (11)Density: 1.2 g/cm³; (12)Flash Point: 289.3 °C; (13)Enthalpy of Vaporization: 83.6 kJ/mol; (14)Boiling Point: 554.8 °C at 760 mmHg; (15)Vapour Pressure: 2.38E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C4C(/SCc1ccccc1)=C(/SCc2ccccc2)\C=N/N4c3ccccc3
(2) InChI: InChI=1/C24H20N2OS2/c27-24-23(29-18-20-12-6-2-7-13-20)22(28-17-19-10-4-1-5-11-19)16-25-26(24)21-14-8-3-9-15-21/h1-16H,17-18H2
(3) InChIKey: GBLGVAZRPHWBIU-UHFFFAOYAD

Product Name

4,5-bis(benzylsulfanyl)-2-phenyl-3(2H)-pyridazinone

4,5-Bis(benzylsulfanyl)-2-phenyl-pyridazin-3-one Specification

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