ChemSpider 2D Image | (2S)-2-Acetyl-N-methyl-N-phenyl-1,3-dithiolane-2-carboxamide 1-oxide | C13H15NO3S2

(2S)-2-Acetyl-N-methyl-N-phenyl-1,3-dithiolane-2-carboxamide 1-oxide

  • Molecular FormulaC13H15NO3S2
  • Average mass297.393 Da
  • Monoisotopic mass297.049347 Da
  • ChemSpider ID21196744

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S) 1-Oxyde de 2-acétyl-N-méthyl-N-phényl-1,3-dithiolane-2-carboxamide [French] [ACD/IUPAC Name]
(2S)-2-Acetyl-N-methyl-N-phenyl-1,3-dithiolan-2-carboxamid-1-oxid [German] [ACD/IUPAC Name]
(2S)-2-Acetyl-N-methyl-N-phenyl-1,3-dithiolane-2-carboxamide 1-oxide [ACD/IUPAC Name]
1,3-Dithiolane-2-carboxamide, 2-acetyl-N-methyl-N-phenyl-, 1-oxide, (2S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 547.6±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: 285.0±30.1 °C
Index of Refraction: 1.660
Molar Refractivity: 78.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.05
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.05
Polar Surface Area: 99 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 211.7±5.0 cm3

Click to predict properties on the Chemicalize site


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