CAS No.72479-26-6,1-[2-(2,4-Dichlorophenyl)-2-[[4-(phenylthio)phenyl]methoxy]ethyl]-1H-imidazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	72479-26-6
Name:	1-[2-(2,4-Dichlorophenyl)-2-[[4-(phenylthio)phenyl]methoxy]ethyl]-1H-imidazole
Article Data:	2

Formula:	C₂₄H₂₀Cl₂N₂OS
Molecular Weight:	455.408
Synonyms:	Fenticonazole;Lomexin;1-[2-(2,4-dichlorophenyl)-2-[(4-phenylsulfanylphenyl)methoxy]ethyl]imidazole;1-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)benzyl]oxy}ethyl]-1H-imidazole;1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((4-(phenylthio)phenyl)methoxy)ethyl)-;1-[2,4-Dichloro-b-[[p-(phenylthio)benzyl]oxy]phenethyl]imidazole;2,4-Dichloro-4'-phenylthio-(N-imidazolylmethyl)dibenzyl Ether;Falvin;
EINECS:	277-302-6
Density:	1.26 g/cm³
Boiling Point:	637.2 °C at 760 mmHg
Flash Point:	339.2 °C
PSA:	52.35000
LogP:	7.29920

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Specification

The Fenticonazole, with the CAS registry number 72479-26-6, has the systematic name of 1-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)benzyl]oxy}ethyl]-1H-imidazole. It is also called Lomexin. And the molecular formula of the chemical is C₂₄H₂₀Cl₂N₂OS.

The characteristics of Fenticonazole are as followings: (1)ACD/LogP: 6.96; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.76; (4)ACD/LogD (pH 7.4): 6.88; (5)ACD/BCF (pH 5.5): 7254.66; (6)ACD/BCF (pH 7.4): 96065.26; (7)ACD/KOC (pH 5.5): 9206.03; (8)ACD/KOC (pH 7.4): 121904.98; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 52.35 Å²; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 128.37 cm³; (15)Molar Volume: 359.7 cm³; (16)Polarizability: 50.89×10^-24 cm³; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.26 g/cm³; (19)Flash Point: 339.2 °C; (20)Enthalpy of Vaporization: 90.7 kJ/mol; (21)Boiling Point: 637.2 °C at 760 mmHg; (22)Vapour Pressure: 1.93E-15 mmHg at 25°C.

Uses of Fenticonazole: It can be used to produce α-(2,4-dichlorophenyl)-β,N-imidazolylethyl 4-benzenesulfinylbenzyl ether. This reaction will need reagent 4.6% H₂O₂, and the menstruum acetic acid. The reaction time is 72 hours with temperature of 20-25°C, and the yield is about 41%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccc(c(Cl)c1)C(OCc3ccc(Sc2ccccc2)cc3)Cn4ccnc4
(2)InChI: InChI=1/C24H20Cl2N2OS/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20/h1-14,17,24H,15-16H2
(3)InChIKey: ZCJYUTQZBAIHBS-UHFFFAOYAE