ChemSpider 2D Image | Ethyl 5-[(4-cyanophenyl)sulfanyl]-2-iodobenzoate | C16H12INO2S

Ethyl 5-[(4-cyanophenyl)sulfanyl]-2-iodobenzoate

  • Molecular FormulaC16H12INO2S
  • Average mass409.241 Da
  • Monoisotopic mass408.963348 Da
  • ChemSpider ID111260657

More details:

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

5-[(4-Cyanophényl)sulfanyl]-2-iodobenzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-[(4-cyanophenyl)thio]-2-iodo-, ethyl ester [ACD/Index Name]
Ethyl 5-[(4-cyanophenyl)sulfanyl]-2-iodobenzoate [ACD/IUPAC Name]
Ethyl-5-[(4-cyanphenyl)sulfanyl]-2-iodbenzoat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 520.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 268.5±30.1 °C
Index of Refraction: 1.680
Molar Refractivity: 92.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6605.50
ACD/KOC (pH 5.5): 18874.69
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6605.50
ACD/KOC (pH 7.4): 18874.69
Polar Surface Area: 75 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 245.4±5.0 cm3

Click to predict properties on the Chemicalize site


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