ChemSpider 2D Image | (2E)-2-(3-Methylbenzylidene)-5-(methylsulfanyl)-3(2H)-thiophenone | C13H12OS2

(2E)-2-(3-Methylbenzylidene)-5-(methylsulfanyl)-3(2H)-thiophenone

  • Molecular FormulaC13H12OS2
  • Average mass248.364 Da
  • Monoisotopic mass248.032959 Da
  • ChemSpider ID21391195
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-2-(3-Methylbenzyliden)-5-(methylsulfanyl)-3(2H)-thiophenon [German] [ACD/IUPAC Name]
(2E)-2-(3-Methylbenzylidene)-5-(methylsulfanyl)-3(2H)-thiophenone [ACD/IUPAC Name]
(2E)-2-(3-Méthylbenzylidène)-5-(méthylsulfanyl)-3(2H)-thiophénone [French] [ACD/IUPAC Name]
(2E)-2-(3-Methylbenzylidene)-5-(methylsulfanyl)thiophen-3(2H)-one
3(2H)-Thiophenone, 2-[(3-methylphenyl)methylene]-5-(methylthio)-, (2E)- [ACD/Index Name]
1000574-32-2 [RN]
2-(3-Methylbenzylidene)-5-(methylthio)thiophen-
2-(3-Methylbenzylidene)-5-(methylthio)thiophen-3(2H)-one
3(2H)-one
MFCD09877821

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 423.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 188.6±18.8 °C
Index of Refraction: 1.657
Molar Refractivity: 72.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 296.10
ACD/KOC (pH 5.5): 2044.82
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 296.10
ACD/KOC (pH 7.4): 2044.82
Polar Surface Area: 68 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 197.3±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement