ChemSpider 2D Image | (2E)-3-[4-(Methylsulfanyl)phenyl]-1-[4-(3-thienyl)-1-piperidinyl]-2-propen-1-one | C19H21NOS2

(2E)-3-[4-(Methylsulfanyl)phenyl]-1-[4-(3-thienyl)-1-piperidinyl]-2-propen-1-one

  • Molecular FormulaC19H21NOS2
  • Average mass343.506 Da
  • Monoisotopic mass343.106445 Da
  • ChemSpider ID30760572

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[4-(Methylsulfanyl)phenyl]-1-[4-(3-thienyl)-1-piperidinyl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-[4-(Methylsulfanyl)phenyl]-1-[4-(3-thienyl)-1-piperidinyl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-[4-(Méthylsulfanyl)phényl]-1-[4-(3-thiényl)-1-pipéridinyl]-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[4-(methylthio)phenyl]-1-[4-(3-thienyl)-1-piperidinyl]-, (2E)- [ACD/Index Name]
(E)-3-(4-(methylthio)phenyl)-1-(4-(thiophen-3-yl)piperidin-1-yl)prop-2-en-1-one
1798333-78-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 560.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.6±30.1 °C
Index of Refraction: 1.643
Molar Refractivity: 101.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 769.91
ACD/KOC (pH 5.5): 4052.41
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 769.91
ACD/KOC (pH 7.4): 4052.41
Polar Surface Area: 74 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 279.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement