ChemSpider 2D Image | 4-Bromo-2-(1-piperidinylcarbonothioyl)phenyl (2E)-3-phenylacrylate | C21H20BrNO2S

4-Bromo-2-(1-piperidinylcarbonothioyl)phenyl (2E)-3-phenylacrylate

  • Molecular FormulaC21H20BrNO2S
  • Average mass430.358 Da
  • Monoisotopic mass429.039795 Da
  • ChemSpider ID31099033

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-Phénylacrylate de 4-bromo-2-(1-pipéridinylcarbonothioyl)phényle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, 4-bromo-2-(1-piperidinylthioxomethyl)phenyl ester, (2E)- [ACD/Index Name]
4-Brom-2-(1-piperidinylcarbonothioyl)phenyl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
4-Bromo-2-(1-piperidinylcarbonothioyl)phenyl (2E)-3-phenylacrylate [ACD/IUPAC Name]
3-Phenyl-acrylic acid 4-bromo-2-(piperidine-1-carbothioyl)-phenyl ester
4-bromo-2-(piperidin-1-ylcarbonothioyl)phenyl (2E)-3-phenylprop-2-enoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 555.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.9±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 113.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2653.01
ACD/KOC (pH 5.5): 9824.31
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2653.14
ACD/KOC (pH 7.4): 9824.77
Polar Surface Area: 62 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 305.1±3.0 cm3

Click to predict properties on the Chemicalize site


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