ChemSpider 2D Image | 4-Thioxo-2,5-cyclohexadien-1-one | C6H4OS

4-Thioxo-2,5-cyclohexadien-1-one

  • Molecular FormulaC6H4OS
  • Average mass124.160 Da
  • Monoisotopic mass123.998283 Da
  • ChemSpider ID19066718

More details:

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

2,5-Cyclohexadien-1-one, 4-thioxo- [ACD/Index Name]
4-Thioxo-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
4-Thioxo-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
4-Thioxo-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]
637-89-8 [RN]
84615-34-9 [RN]
MFCD24706122
P-MERCAPTOPHENOL

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

Density: 1.3±0.1 g/cm3
Boiling Point: 207.3±43.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.4±3.0 kJ/mol
Flash Point: 79.2±28.2 °C
Index of Refraction: 1.628
Molar Refractivity: 34.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.76
ACD/KOC (pH 5.5): 71.94
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.76
ACD/KOC (pH 7.4): 71.94
Polar Surface Area: 49 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 98.1±5.0 cm3

Click to predict properties on the Chemicalize site


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