ChemSpider 2D Image | 3-(2-Thienyl)-1-benzothiophene | C12H8S2

3-(2-Thienyl)-1-benzothiophene

  • Molecular FormulaC12H8S2
  • Average mass216.322 Da
  • Monoisotopic mass216.006744 Da
  • ChemSpider ID57613727

More details:

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

3-(2-Thienyl)-1-benzothiophen [German] [ACD/IUPAC Name]
3-(2-Thienyl)-1-benzothiophene [ACD/IUPAC Name]
3-(2-Thiényl)-1-benzothiophène [French] [ACD/IUPAC Name]
Benzo[b]thiophene, 3-(2-thienyl)- [ACD/Index Name]
105789-79-5 [RN]
3-(thiophen-2-yl)-1-benzothiophene

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

Density: 1.3±0.1 g/cm3
Boiling Point: 367.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.0±3.0 kJ/mol
Flash Point: 131.2±9.4 °C
Index of Refraction: 1.708
Molar Refractivity: 65.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3439.83
ACD/KOC (pH 5.5): 11831.71
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3439.83
ACD/KOC (pH 7.4): 11831.71
Polar Surface Area: 56 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 167.8±3.0 cm3

Click to predict properties on the Chemicalize site


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