ChemSpider 2D Image | 3-Methyl-5-(2-thienylethynyl)-2-thiophenecarbaldehyde | C12H8OS2

3-Methyl-5-(2-thienylethynyl)-2-thiophenecarbaldehyde

  • Molecular FormulaC12H8OS2
  • Average mass232.321 Da
  • Monoisotopic mass232.001648 Da
  • ChemSpider ID96541302

More details:

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

2-Thiophenecarboxaldehyde, 3-methyl-5-[2-(2-thienyl)ethynyl]- [ACD/Index Name]
3-Methyl-5-(2-thienylethinyl)-2-thiophencarbaldehyd [German] [ACD/IUPAC Name]
3-Methyl-5-(2-thienylethynyl)-2-thiophenecarbaldehyde [ACD/IUPAC Name]
3-Méthyl-5-(2-thiényléthynyl)-2-thiophènecarbaldéhyde [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 418.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 206.8±28.7 °C
Index of Refraction: 1.656
Molar Refractivity: 64.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 572.26
ACD/KOC (pH 5.5): 3277.08
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 572.26
ACD/KOC (pH 7.4): 3277.08
Polar Surface Area: 74 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 175.8±5.0 cm3

Click to predict properties on the Chemicalize site


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