ChemSpider 2D Image | S-[(2S,3R)-3-Methyl-4-oxo-1,2,3-triphenyl-2-azetidinyl] ethanethioate | C24H21NO2S

S-[(2S,3R)-3-Methyl-4-oxo-1,2,3-triphenyl-2-azetidinyl] ethanethioate

  • Molecular FormulaC24H21NO2S
  • Average mass387.494 Da
  • Monoisotopic mass387.129303 Da
  • ChemSpider ID21194618

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Éthanethioate de S-[(2S,3R)-3-méthyl-4-oxo-1,2,3-triphényl-2-azétidinyle] [French] [ACD/IUPAC Name]
Ethanethioic acid, S-[(2S,3R)-3-methyl-4-oxo-1,2,3-triphenyl-2-azetidinyl] ester [ACD/Index Name]
S-[(2S,3R)-3-Methyl-4-oxo-1,2,3-triphenyl-2-azetidinyl] ethanethioate [ACD/IUPAC Name]
S-[(2S,3R)-3-Methyl-4-oxo-1,2,3-triphenyl-2-azetidinyl]-ethanthioat [German] [ACD/IUPAC 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: 580.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.6±30.1 °C
Index of Refraction: 1.674
Molar Refractivity: 114.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5818.91
ACD/KOC (pH 5.5): 17237.15
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5818.91
ACD/KOC (pH 7.4): 17237.15
Polar Surface Area: 63 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 303.9±5.0 cm3

Click to predict properties on the Chemicalize site


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