ChemSpider 2D Image | 2,3-Bis[(4-methylphenyl)sulfanyl]-4H-thiochromen-4-one 1,1-dioxide | C23H18O3S3

2,3-Bis[(4-methylphenyl)sulfanyl]-4H-thiochromen-4-one 1,1-dioxide

  • Molecular FormulaC23H18O3S3
  • Average mass438.582 Da
  • Monoisotopic mass438.041809 Da
  • ChemSpider ID21107582

More details:

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

1,1-Dioxyde de 2,3-bis[(4-méthylphényl)sulfanyl]-4H-thiochromén-4-one [French] [ACD/IUPAC Name]
2,3-Bis[(4-methylphenyl)sulfanyl]-4H-thiochromen-4-on-1,1-dioxid [German] [ACD/IUPAC Name]
2,3-Bis[(4-methylphenyl)sulfanyl]-4H-thiochromen-4-one 1,1-dioxide [ACD/IUPAC Name]
4H-1-Benzothiopyran-4-one, 2,3-bis[(4-methylphenyl)thio]-, 1,1-dioxide [ACD/Index 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: 604.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 319.1±31.5 °C
Index of Refraction: 1.720
Molar Refractivity: 121.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1961.92
ACD/KOC (pH 5.5): 7915.85
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1961.92
ACD/KOC (pH 7.4): 7915.85
Polar Surface Area: 110 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 308.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement