ChemSpider 2D Image | (2E)-1-(4-Chlorophenyl)-2-(methylsulfanyl)-4-(2-thienyl)-2-butene-1,4-dione | C15H11ClO2S2

(2E)-1-(4-Chlorophenyl)-2-(methylsulfanyl)-4-(2-thienyl)-2-butene-1,4-dione

  • Molecular FormulaC15H11ClO2S2
  • Average mass322.830 Da
  • Monoisotopic mass321.988892 Da
  • ChemSpider ID30658666

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-(4-Chlorophenyl)-2-(methylsulfanyl)-4-(2-thienyl)-2-butene-1,4-dione [ACD/IUPAC Name]
(2E)-1-(4-Chlorophényl)-2-(méthylsulfanyl)-4-(2-thiényl)-2-butène-1,4-dione [French] [ACD/IUPAC Name]
(2E)-1-(4-Chlorphenyl)-2-(methylsulfanyl)-4-(2-thienyl)-2-buten-1,4-dion [German] [ACD/IUPAC Name]
2-Butene-1,4-dione, 1-(4-chlorophenyl)-2-(methylthio)-4-(2-thienyl)-, (2E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 462.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 233.4±28.7 °C
Index of Refraction: 1.643
Molar Refractivity: 86.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1218.33
ACD/KOC (pH 5.5): 5628.46
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1218.33
ACD/KOC (pH 7.4): 5628.46
Polar Surface Area: 88 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 238.7±3.0 cm3

Click to predict properties on the Chemicalize site


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