ChemSpider 2D Image | thioisocoumarin | C9H6OS

thioisocoumarin

  • Molecular FormulaC9H6OS
  • Average mass162.208 Da
  • Monoisotopic mass162.013931 Da
  • ChemSpider ID11408031

More details:

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

1H-2-Benzopyran-1-thione [ACD/Index Name]
1H-Isochromen-1-thion [German] [ACD/IUPAC Name]
1H-Isochromene-1-thione [ACD/IUPAC Name]
1H-Isochromène-1-thione [French] [ACD/IUPAC Name]
thioisocoumarin
4702-37-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 251.7±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.9±3.0 kJ/mol
Flash Point: 106.0±28.2 °C
Index of Refraction: 1.682
Molar Refractivity: 47.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 49.09
ACD/KOC (pH 5.5): 564.95
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 49.09
ACD/KOC (pH 7.4): 564.95
Polar Surface Area: 41 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 125.0±5.0 cm3

Click to predict properties on the Chemicalize site


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