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

(2Z)-[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 ID26470744

More details:

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

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

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: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 577.30
ACD/KOC (pH 5.5): 3222.67
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 625.36
ACD/KOC (pH 7.4): 3490.92
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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