ChemSpider 2D Image | 5-(3-Thienylethynyl)-1,3-benzenedithiol | C12H8S3

5-(3-Thienylethynyl)-1,3-benzenedithiol

  • Molecular FormulaC12H8S3
  • Average mass248.387 Da
  • Monoisotopic mass247.978806 Da
  • ChemSpider ID94866358

More details:

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

1,3-Benzenedithiol, 5-[2-(3-thienyl)ethynyl]- [ACD/Index Name]
5-(3-Thienylethinyl)-1,3-benzoldithiol [German] [ACD/IUPAC Name]
5-(3-Thienylethynyl)-1,3-benzenedithiol [ACD/IUPAC Name]
5-(3-Thiényléthynyl)-1,3-benzènedithiol [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: 439.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 219.8±27.3 °C
Index of Refraction: 1.716
Molar Refractivity: 72.6±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 506.48
ACD/KOC (pH 5.5): 2285.65
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 3.58
ACD/KOC (pH 7.4): 16.15
Polar Surface Area: 106 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 184.4±5.0 cm3

Click to predict properties on the Chemicalize site


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