ChemSpider 2D Image | (2E)-2-Acetyl-3-hydroxy-N-phenyl-2-butenethioamide | C12H13NO2S

(2E)-2-Acetyl-3-hydroxy-N-phenyl-2-butenethioamide

  • Molecular FormulaC12H13NO2S
  • Average mass235.302 Da
  • Monoisotopic mass235.066696 Da
  • ChemSpider ID21179154

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-Acetyl-3-hydroxy-N-phenyl-2-butenethioamide [ACD/IUPAC Name]
(2E)-2-Acétyl-3-hydroxy-N-phényl-2-butènethioamide [French] [ACD/IUPAC Name]
(2E)-2-Acetyl-3-hydroxy-N-phenyl-2-butenthioamid [German] [ACD/IUPAC Name]
2-Butenethioamide, 2-acetyl-3-hydroxy-N-phenyl-, (2E)- [ACD/Index Name]
923286-00-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 387.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 188.1±30.7 °C
Index of Refraction: 1.573
Molar Refractivity: 67.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.83
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 38.7±7.0 dyne/cm
Molar Volume: 203.5±7.0 cm3

Click to predict properties on the Chemicalize site


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