ChemSpider 2D Image | 5R-(2E-methyl-3-phenyl-allyl)-3-(benzenesulfonylamino)-4-oxo-2-thionothiazolidine | C19H18N2O3S3

5R-(2E-methyl-3-phenyl-allyl)-3-(benzenesulfonylamino)-4-oxo-2-thionothiazolidine

  • Molecular FormulaC19H18N2O3S3
  • Average mass418.553 Da
  • Monoisotopic mass418.047943 Da
  • ChemSpider ID25057943

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5R-(2E-methyl-3-phenyl-allyl)-3-(benzenesulfonylamino)-4-oxo-2-thionothiazolidine
Benzenesulfonamide, N-[(5R)-5-[(2E)-2-methyl-3-phenyl-2-propen-1-yl]-4-oxo-2-thioxo-3-thiazolidinyl]- [ACD/Index Name]
N-{(5R)-5-[(2E)-2-Methyl-3-phenyl-2-propen-1-yl]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzenesulfonamide [ACD/IUPAC Name]
N-{(5R)-5-[(2E)-2-Méthyl-3-phényl-2-propén-1-yl]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzènesulfonamide [French] [ACD/IUPAC Name]
N-{(5R)-5-[(2E)-2-Methyl-3-phenyl-2-propen-1-yl]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzolsulfonamid [German] [ACD/IUPAC 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: 571.4±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.4±25.4 °C
Index of Refraction: 1.712
Molar Refractivity: 113.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 114.44
ACD/KOC (pH 5.5): 966.05
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 7.68
ACD/KOC (pH 7.4): 64.83
Polar Surface Area: 132 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 288.9±5.0 cm3

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