ChemSpider 2D Image | (2Z)-[(4R)-4-(2,4-Dichlorophenyl)-1,3-dithiolan-2-ylidene](1H-imidazol-1-yl)acetonitrile | C14H9Cl2N3S2

(2Z)-[(4R)-4-(2,4-Dichlorophenyl)-1,3-dithiolan-2-ylidene](1H-imidazol-1-yl)acetonitrile

  • Molecular FormulaC14H9Cl2N3S2
  • Average mass354.277 Da
  • Monoisotopic mass352.961487 Da
  • ChemSpider ID24541211

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2Z)-[(4R)-4-(2,4-Dichlorophenyl)-1,3-dithiolan-2-ylidene](1H-imidazol-1-yl)acetonitrile [ACD/IUPAC Name]
(2Z)-[(4R)-4-(2,4-Dichlorophényl)-1,3-dithiolan-2-ylidène](1H-imidazol-1-yl)acétonitrile [French] [ACD/IUPAC Name]
(2Z)-[(4R)-4-(2,4-Dichlorphenyl)-1,3-dithiolan-2-yliden](1H-imidazol-1-yl)acetonitril [German] [ACD/IUPAC Name]
1H-Imidazole-1-acetonitrile, α-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-, (αZ)- [ACD/Index Name]
2-[(4R)-4-(2,4-dichlorophenyl)(1,3-dithiolan-2-ylidene)]-2-imidazolylethanenitrile
Z-Luliconazole

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 499.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 255.6±31.5 °C
Index of Refraction: 1.734
Molar Refractivity: 93.2±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1559.29
ACD/KOC (pH 5.5): 6681.58
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1587.16
ACD/KOC (pH 7.4): 6801.03
Polar Surface Area: 92 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 60.5±7.0 dyne/cm
Molar Volume: 232.4±7.0 cm3

Click to predict properties on the Chemicalize site


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