ChemSpider 2D Image | (2E)-2-Benzylidene-5-(methylsulfanyl)-3(2H)-thiophenone | C12H10OS2

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

  • Molecular FormulaC12H10OS2
  • Average mass234.337 Da
  • Monoisotopic mass234.017303 Da
  • ChemSpider ID21391189

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-Benzyliden-5-(methylsulfanyl)-3(2H)-thiophenon [German] [ACD/IUPAC Name]
(2E)-2-Benzylidene-5-(methylsulfanyl)-3(2H)-thiophenone [ACD/IUPAC Name]
(2E)-2-Benzylidène-5-(méthylsulfanyl)-3(2H)-thiophénone [French] [ACD/IUPAC Name]
(2E)-2-Benzylidene-5-(methylsulfanyl)thiophen-3(2H)-one
3(2H)-Thiophenone, 5-(methylthio)-2-(phenylmethylene)-, (2E)- [ACD/Index Name]
(2E)-2-benzylidene-5-methylsulfanylthiophen-3-one
113544-20-0 [RN]
2-Benzylidene-5-(methylthio)thiophen-3(2H)-one
2-BENZYLIDENE-5-(METHYLTHIO)THIOPHEN-3-(2H)-ONE
5-(methylthio)-2-(phenylmethylene)-3-thiophenone
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 412.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 186.2±18.8 °C
Index of Refraction: 1.673
Molar Refractivity: 68.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 216.36
ACD/KOC (pH 5.5): 1633.53
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 216.36
ACD/KOC (pH 7.4): 1633.53
Polar Surface Area: 68 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 181.5±5.0 cm3

Click to predict properties on the Chemicalize site


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