ChemSpider 2D Image | 1-Phenyl-3-thioxo-2-propen-1-one | C9H6OS

1-Phenyl-3-thioxo-2-propen-1-one

  • Molecular FormulaC9H6OS
  • Average mass162.208 Da
  • Monoisotopic mass162.013931 Da
  • ChemSpider ID29316582

More details:

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

1-Phenyl-3-thioxo-2-propen-1-on [German] [ACD/IUPAC Name]
1-Phenyl-3-thioxo-2-propen-1-one [ACD/IUPAC Name]
1-Phényl-3-thioxo-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-phenyl-3-thioxo- [ACD/Index Name]
63791-65-1 [RN]
MFCD24697620

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

Density: 1.1±0.1 g/cm3
Boiling Point: 262.3±46.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.0±3.0 kJ/mol
Flash Point: 112.4±29.0 °C
Index of Refraction: 1.600
Molar Refractivity: 48.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 21.89
ACD/KOC (pH 5.5): 316.91
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 21.89
ACD/KOC (pH 7.4): 316.91
Polar Surface Area: 49 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 141.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement