ChemSpider 2D Image | 9-[(2S)-2-Methoxy-2,3-dihydro-1H-cyclopenta[a]naphthalen-1-ylidene]-9H-thioxanthene | C27H20OS

9-[(2S)-2-Methoxy-2,3-dihydro-1H-cyclopenta[a]naphthalen-1-ylidene]-9H-thioxanthene

  • Molecular FormulaC27H20OS
  • Average mass392.512 Da
  • Monoisotopic mass392.123474 Da
  • ChemSpider ID30659136

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

9-[(2S)-2-Méthoxy-2,3-dihydro-1H-cyclopenta[a]naphtalén-1-ylidène]-9H-thioxanthène [French] [ACD/IUPAC Name]
9-[(2S)-2-Methoxy-2,3-dihydro-1H-cyclopenta[a]naphthalen-1-ylidene]-9H-thioxanthene [ACD/IUPAC Name]
9-[(2S)-2-Methoxy-2,3-dihydro-1H-cyclopenta[a]naphthalin-1-yliden]-9H-thioxanthen [German] [ACD/IUPAC Name]
9H-Thioxanthene, 9-[(2S)-2,3-dihydro-2-methoxy-1H-benz[e]inden-1-ylidene]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 573.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 300.4±30.1 °C
Index of Refraction: 1.750
Molar Refractivity: 122.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 9.78
ACD/LogD (pH 5.5): 8.29
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 766735.31
ACD/LogD (pH 7.4): 8.29
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 766735.31
Polar Surface Area: 35 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 299.3±5.0 cm3

Click to predict properties on the Chemicalize site


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