ChemSpider 2D Image | 6-(2-Thienylethynyl)-1H-isothiochromen-4(3H)-one | C15H10OS2

6-(2-Thienylethynyl)-1H-isothiochromen-4(3H)-one

  • Molecular FormulaC15H10OS2
  • Average mass270.369 Da
  • Monoisotopic mass270.017303 Da
  • ChemSpider ID90956136

More details:

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

1H-2-Benzothiopyran-4(3H)-one, 6-[2-(2-thienyl)ethynyl]- [ACD/Index Name]
6-(2-Thienylethinyl)-1H-isothiochromen-4(3H)-on [German] [ACD/IUPAC Name]
6-(2-Thienylethynyl)-1H-isothiochromen-4(3H)-one [ACD/IUPAC Name]
6-(2-Thiényléthynyl)-1H-isothiochromén-4(3H)-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 482.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 245.9±28.7 °C
Index of Refraction: 1.708
Molar Refractivity: 76.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1096.91
ACD/KOC (pH 5.5): 5220.99
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1096.91
ACD/KOC (pH 7.4): 5220.99
Polar Surface Area: 71 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 197.1±5.0 cm3

Click to predict properties on the Chemicalize site


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