ChemSpider 2D Image | (2E)-3-[(2-Fluorobenzyl)sulfanyl]-3-[(3-methylphenyl)amino]-2-(phenylsulfonyl)acrylonitrile | C23H19FN2O2S2

(2E)-3-[(2-Fluorobenzyl)sulfanyl]-3-[(3-methylphenyl)amino]-2-(phenylsulfonyl)acrylonitrile

  • Molecular FormulaC23H19FN2O2S2
  • Average mass438.538 Da
  • Monoisotopic mass438.087189 Da
  • ChemSpider ID22958464

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[(2-Fluorbenzyl)sulfanyl]-3-[(3-methylphenyl)amino]-2-(phenylsulfonyl)acrylonitril [German] [ACD/IUPAC Name]
(2E)-3-[(2-Fluorobenzyl)sulfanyl]-3-[(3-methylphenyl)amino]-2-(phenylsulfonyl)acrylonitrile [ACD/IUPAC Name]
(2E)-3-[(2-Fluorobenzyl)sulfanyl]-3-[(3-méthylphényl)amino]-2-(phénylsulfonyl)acrylonitrile [French] [ACD/IUPAC Name]
2-Propenenitrile, 3-[[(2-fluorophenyl)methyl]thio]-3-[(3-methylphenyl)amino]-2-(phenylsulfonyl)-, (2E)- [ACD/Index Name]
(2E)-2-(BENZENESULFONYL)-3-{[(2-FLUOROPHENYL)METHYL]SULFANYL}-3-[(3-METHYLPHENYL)AMINO]PROP-2-ENENITRILE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 594.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 313.0±30.1 °C
Index of Refraction: 1.652
Molar Refractivity: 119.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 909.89
ACD/KOC (pH 5.5): 4567.12
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 909.89
ACD/KOC (pH 7.4): 4567.12
Polar Surface Area: 104 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 326.3±3.0 cm3

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