Found 10 results

Search term: MF = 'C_{23}H_{24}O_{3}S_{2}'
ChemSpider 2D Image | Benzyl (2S,3R)-2-(ethylsulfanyl)-3-(2-oxoethyl)-5-phenyl-3,6-dihydro-2H-thiopyran-2-carboxylate | C23H24O3S2

Benzyl (2S,3R)-2-(ethylsulfanyl)-3-(2-oxoethyl)-5-phenyl-3,6-dihydro-2H-thiopyran-2-carboxylate

  • Molecular FormulaC23H24O3S2
  • Average mass412.565 Da
  • Monoisotopic mass412.116699 Da
  • ChemSpider ID74162733

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-(Éthylsulfanyl)-3-(2-oxoéthyl)-5-phényl-3,6-dihydro-2H-thiopyrane-2-carboxylate de benzyle [French] [ACD/IUPAC Name]
2H-Thiopyran-2-carboxylic acid, 2-(ethylthio)-3,6-dihydro-3-(2-oxoethyl)-5-phenyl-, phenylmethyl ester, (2S,3R)- [ACD/Index Name]
Benzyl (2S,3R)-2-(ethylsulfanyl)-3-(2-oxoethyl)-5-phenyl-3,6-dihydro-2H-thiopyran-2-carboxylate [ACD/IUPAC Name]
Benzyl-(2S,3R)-2-(ethylsulfanyl)-3-(2-oxoethyl)-5-phenyl-3,6-dihydro-2H-thiopyran-2-carboxylat [German] [ACD/IUPAC 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: 572.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 286.2±18.1 °C
Index of Refraction: 1.629
Molar Refractivity: 118.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9398.66
ACD/KOC (pH 5.5): 24294.64
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9398.66
ACD/KOC (pH 7.4): 24294.64
Polar Surface Area: 94 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 332.9±5.0 cm3

Click to predict properties on the Chemicalize site


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