ChemSpider 2D Image | 4H-Thieno[2,3-c]thiochromene-1-carboxylic acid | C12H8O2S2

4H-Thieno[2,3-c]thiochromene-1-carboxylic acid

  • Molecular FormulaC12H8O2S2
  • Average mass248.321 Da
  • Monoisotopic mass247.996567 Da
  • ChemSpider ID40982285

More details:

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

4H-Thieno[2,3-c][1]benzothiopyran-1-carboxylic acid [ACD/Index Name]
4H-Thieno[2,3-c]thiochromen-1-carbonsäure [German] [ACD/IUPAC Name]
4H-Thieno[2,3-c]thiochromene-1-carboxylic acid [ACD/IUPAC Name]
Acide 4H-thiéno[2,3-c]thiochromène-1-carboxylique [French] [ACD/IUPAC Name]
1545820-35-6 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 518.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 267.1±28.7 °C
Index of Refraction: 1.736
Molar Refractivity: 67.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 29.11
ACD/KOC (pH 5.5): 137.83
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 1.16
ACD/KOC (pH 7.4): 5.48
Polar Surface Area: 91 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 71.7±3.0 dyne/cm
Molar Volume: 167.6±3.0 cm3

Click to predict properties on the Chemicalize site


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