ChemSpider 2D Image | 6-Ethynyl-3-methylthieno[3,2-b]thiophene-2-carboxylic acid | C10H6O2S2

6-Ethynyl-3-methylthieno[3,2-b]thiophene-2-carboxylic acid

  • Molecular FormulaC10H6O2S2
  • Average mass222.283 Da
  • Monoisotopic mass221.980927 Da
  • ChemSpider ID28518989

More details:

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

6-Ethinyl-3-methylthieno[3,2-b]thiophen-2-carbonsäure [German] [ACD/IUPAC Name]
6-Ethynyl-3-methylthieno[3,2-b]thiophene-2-carboxylic acid [ACD/IUPAC Name]
Acide 6-éthynyl-3-méthylthiéno[3,2-b]thiophène-2-carboxylique [French] [ACD/IUPAC Name]
Thieno[3,2-b]thiophene-2-carboxylic acid, 6-ethynyl-3-methyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 423.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 209.8±27.3 °C
Index of Refraction: 1.718
Molar Refractivity: 58.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 3.92
ACD/KOC (pH 5.5): 18.49
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.97
Polar Surface Area: 94 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 74.6±5.0 dyne/cm
Molar Volume: 148.6±5.0 cm3

Click to predict properties on the Chemicalize site


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