ChemSpider 2D Image | (2S)-2-[(1S)-1-(2-Phenyl-1,3-dithian-2-yl)propyl]oxirane | C15H20OS2

(2S)-2-[(1S)-1-(2-Phenyl-1,3-dithian-2-yl)propyl]oxirane

  • Molecular FormulaC15H20OS2
  • Average mass280.449 Da
  • Monoisotopic mass280.095551 Da
  • ChemSpider ID30659014

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-[(1S)-1-(2-Phenyl-1,3-dithian-2-yl)propyl]oxiran [German] [ACD/IUPAC Name]
(2S)-2-[(1S)-1-(2-Phenyl-1,3-dithian-2-yl)propyl]oxirane [ACD/IUPAC Name]
(2S)-2-[(1S)-1-(2-Phényl-1,3-dithian-2-yl)propyl]oxirane [French] [ACD/IUPAC Name]
1,3-Dithiane, 2-[(1S)-1-[(2S)-oxiranyl]propyl]-2-phenyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 413.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.1±3.0 kJ/mol
Flash Point: 203.9±28.7 °C
Index of Refraction: 1.607
Molar Refractivity: 81.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1130.06
ACD/KOC (pH 5.5): 5333.45
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1130.06
ACD/KOC (pH 7.4): 5333.45
Polar Surface Area: 63 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 237.0±3.0 cm3

Click to predict properties on the Chemicalize site


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