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187164-19-8

Basic Information
CAS No.: 187164-19-8
Name: Luliconazole
Article Data: 12
Cas Database
Molecular Structure:
Molecular Structure of 187164-19-8 (Luliconazole)
Formula: C14H9Cl2N3S2
Molecular Weight: 354.284
Synonyms: 1H-Imidazole-1-acetonitrile,a-[4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-,[R-(E)]-;Lulicon;NND 502;1H-Imidazole-1-acetonitrile,a-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-,(aE)-;
EINECS: 247-960-9
Density: 1.524 g/cm3
Melting Point: 152 °C
Boiling Point: 499.102 °C at 760 mmHg
Flash Point: 255.648 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 92.21000
LogP: 5.06088
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Specification

1. Introduction of Luliconazole
Luliconazole is one kind of APIs. The IUPAC name is (2E)-2-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile. Besides, its Classification Code is Antifungal. Luliconazole Solubility is DMSO.

2. Properties of Luliconazole
Physical properties about Luliconazole are:
(1)ACD/LogP: 3.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.97; (4)ACD/LogD (pH 7.4): 3.98; (5)ACD/BCF (pH 5.5): 614.89; (6)ACD/BCF (pH 7.4): 625.88; (7)ACD/KOC (pH 5.5): 3432.47; (8)ACD/KOC (pH 7.4): 3493.84; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 92.21 Å2; (13)Index of Refraction: 1.734; (14)Molar Refractivity: 93.16 cm3; (15)Molar Volume: 232.3 cm3; (16)Polarizability: 36.93×10-24cm3; (17)Surface Tension: 60.5 dyne/cm; (18)Enthalpy of Vaporization: 76.74 kJ/mol; (19)Vapour Pressure: 4.27×10-10 mmHg at 25°C.

3. Structure Descriptors of Luliconazole
You can still convert the following datas into molecular structure:
(1)SMILES: N#C\C(=C2/S[C@H](c1c(Cl)cc(Cl)cc1)CS2)n3ccnc3
(2)InChI: InChI=1/C14H9Cl2N3S2/c15-9-1-2-10(11(16)5-9)13-7-20-14(21-13)12(6-17)19-4-3-18-8-19/h1-5,8,13H,7H2/b14-12+/t13-/m0/s1
(3)InChIKey: YTAOBBFIOAEMLL-REQDGWNSBF

4. Uses of Luliconazole
Luliconazole belongs to APIs. Hence, it can be used in medicine. Luliconazole is a novel topical antifungal imidazole with broad-spectrum and potent antifungal activity.

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