ChemSpider 2D Image | Ethyl (2E)-3-[2-amino-5-(benzylsulfanyl)phenyl]acrylate | C18H19NO2S

Ethyl (2E)-3-[2-amino-5-(benzylsulfanyl)phenyl]acrylate

  • Molecular FormulaC18H19NO2S
  • Average mass313.414 Da
  • Monoisotopic mass313.113647 Da
  • ChemSpider ID57385011

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[2-Amino-5-(benzylsulfanyl)phényl]acrylate d'éthyle [French] [ACD/IUPAC Name]
1641578-95-1 [RN]
2-Propenoic acid, 3-[2-amino-5-[(phenylmethyl)thio]phenyl]-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-3-[2-amino-5-(benzylsulfanyl)phenyl]acrylate [ACD/IUPAC Name]
ETHYL (2E)-3-[2-AMINO-5-(BENZYLSULFANYL)PHENYL]PROP-2-ENOATE
Ethyl-(2E)-3-[2-amino-5-(benzylsulfanyl)phenyl]acrylat [German] [ACD/IUPAC Name]
(E)-Ethyl 3-(2-amino-5-(benzylthio)phenyl)acrylate
MFCD27924160
min. 95%

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

Density: 1.2±0.1 g/cm3
Boiling Point: 494.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 252.8±28.7 °C
Index of Refraction: 1.626
Molar Refractivity: 92.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 211.41
ACD/KOC (pH 5.5): 1606.63
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 211.43
ACD/KOC (pH 7.4): 1606.81
Polar Surface Area: 78 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 261.7±5.0 cm3

Click to predict properties on the Chemicalize site


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