Found 32 results

Search term: MF = 'C_{16}H_{12}O_{6}S'
ChemSpider 2D Image | 2-Hydroxyethyl 9-oxo-9H-thioxanthene-3-carboxylate 10,10-dioxide | C16H12O6S

2-Hydroxyethyl 9-oxo-9H-thioxanthene-3-carboxylate 10,10-dioxide

  • Molecular FormulaC16H12O6S
  • Average mass332.328 Da
  • Monoisotopic mass332.035461 Da
  • ChemSpider ID30612357

More details:

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

10,10-Dioxyde de 9-oxo-9H-thioxanthène-3-carboxylate de 2-hydroxyéthyle [French] [ACD/IUPAC Name]
2-Hydroxyethyl 9-oxo-9H-thioxanthene-3-carboxylate 10,10-dioxide [ACD/IUPAC Name]
2-Hydroxyethyl-9-oxo-9H-thioxanthen-3-carboxylat-10,10-dioxid [German] [ACD/IUPAC Name]
9H-Thioxanthene-3-carboxylic acid, 9-oxo-, 2-hydroxyethyl ester, 10,10-dioxide [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 602.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 318.1±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 80.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 30.39
ACD/KOC (pH 5.5): 400.80
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.39
ACD/KOC (pH 7.4): 400.80
Polar Surface Area: 106 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 221.0±3.0 cm3

Click to predict properties on the Chemicalize site


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