ChemSpider 2D Image | 1,3-Bis(5-methyl-2-thienyl)-2-propen-1-one | C13H12OS2

1,3-Bis(5-methyl-2-thienyl)-2-propen-1-one

  • Molecular FormulaC13H12OS2
  • Average mass248.364 Da
  • Monoisotopic mass248.032959 Da
  • ChemSpider ID35345659

More details:






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

1,3-Bis(5-methyl-2-thienyl)-2-propen-1-on [German] [ACD/IUPAC Name]
1,3-Bis(5-methyl-2-thienyl)-2-propen-1-one [ACD/IUPAC Name]
1,3-Bis(5-méthyl-2-thiényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1,3-bis(5-methyl-2-thienyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 397.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 194.4±27.9 °C
Index of Refraction: 1.651
Molar Refractivity: 73.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 538.38
ACD/KOC (pH 5.5): 3137.03
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 538.38
ACD/KOC (pH 7.4): 3137.03
Polar Surface Area: 74 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 201.3±3.0 cm3

Click to predict properties on the Chemicalize site






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