ChemSpider 2D Image | Dimethyl 4-oxo-4H-thiochromene-2,3-dicarboxylate | C13H10O5S

Dimethyl 4-oxo-4H-thiochromene-2,3-dicarboxylate

  • Molecular FormulaC13H10O5S
  • Average mass278.280 Da
  • Monoisotopic mass278.024902 Da
  • ChemSpider ID30660304

More details:

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

4H-1-Benzothiopyran-2,3-dicarboxylic acid, 4-oxo-, dimethyl ester [ACD/Index Name]
4-Oxo-4H-thiochromène-2,3-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 4-oxo-4H-thiochromene-2,3-dicarboxylate [ACD/IUPAC Name]
Dimethyl-4-oxo-4H-thiochromen-2,3-dicarboxylat [German] [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: 391.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.1±3.0 kJ/mol
Flash Point: 191.1±15.9 °C
Index of Refraction: 1.610
Molar Refractivity: 68.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.80
ACD/KOC (pH 5.5): 305.59
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.80
ACD/KOC (pH 7.4): 305.59
Polar Surface Area: 95 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 196.7±3.0 cm3

Click to predict properties on the Chemicalize site


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