CAS No.82382-23-8,Sulconazle Nitrate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	82382-23-8
Name:	Sulconazle Nitrate
Article Data:	2

Formula:	C₁₈H₁₅Cl₃N₂S^.HNO₃
Molecular Weight:	460.768
Synonyms:	1-{2-[(4-Chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole nitrate (1:1);
EINECS:	1312995-182-4
Boiling Point:	558.2 °C at 760 mmHg
Flash Point:	291.4 °C
PSA:	109.17000
LogP:	6.69350

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Specification

The 1-[2-(4-Chlorobenzylthio)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole nitrate, with the CAS registry number 82382-23-8, is also known as 1-(4-Chlorobenzylthio)-1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethane nitrate. This chemical's molecular formula is C₁₈H₁₅Cl₃N₂S·HNO₃ and molecular weight is 460.76. What's more, its systematic name is called 1-{2-[(4-Chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole nitrate (1:1). It is available as a cream or solution to treat skin infections, such as athlete's foot, ringworm, jock itch and sun fungus.

Physical properties about 1-[2-(4-Chlorobenzylthio)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole nitrate are: (1) ACD/LogP: 5.66; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 4.57; (4) ACD/LogD (pH 7.4): 5.6; (5) ACD/BCF (pH 5.5): 966.44; (6) ACD/BCF (pH 7.4): 10221.92; (7)ACD/KOC (pH 5.5): 2347.21; (8) ACD/KOC (pH 7.4): 24826.18; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 6; (12) Polar Surface Area: 43.12 Å²; (13) Flash Point: 291.4 °C; (14) Enthalpy of Vaporization: 80.89 kJ/mol; (15) Boiling Point: 558.2 °C at 760 mmHg; (16) Vapour Pressure: 6.4E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)O.Clc1ccc(c(Cl)c1)C(SCc2ccc(Cl)cc2)Cn3ccnc3
(2) InChI: InChI=1/C18H15Cl3N2S.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)
(3) InChIKey: CRKGMGQUHDNAPB-UHFFFAOYAX