ChemSpider 2D Image | 10-(1-methyl-4-piperidylidene)-5H-benzo[1,2]cyclohepta[2,4-b]thiophen-4-one | C19H19NOS

10-(1-methyl-4-piperidylidene)-5H-benzo[1,2]cyclohepta[2,4-b]thiophen-4-one

  • Molecular FormulaC19H19NOS
  • Average mass309.425 Da
  • Monoisotopic mass309.118744 Da
  • ChemSpider ID28943033

More details:

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

10-(1-Methyl-4-piperidinyliden)-5,10-dihydro-4H-benzo[5,6]cyclohepta[1,2-b]thiophen-4-on [German] [ACD/IUPAC Name]
10-(1-Méthyl-4-pipéridinylidène)-5,10-dihydro-4H-benzo[5,6]cyclohepta[1,2-b]thiophén-4-one [French] [ACD/IUPAC Name]
10-(1-Methyl-4-piperidinylidene)-5,10-dihydro-4H-benzo[5,6]cyclohepta[1,2-b]thiophen-4-one [ACD/IUPAC Name]
10-(1-methylpiperidin-4-ylidene)-5,10-dihydro-4H-benzo[5,6]cyclohepta[1,2-b]thiophen-4-one
10-(1-methylpiperidin-4-ylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one
1346603-71-1 [RN]
4H-Benzo[5,6]cyclohepta[1,2-b]thiophen-4-one, 5,10-dihydro-10-(1-methyl-4-piperidinylidene)- [ACD/Index Name]
4-OXO KETOTIFEN
MFCD22689452
MFCD27756439 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 488.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.5±28.7 °C
Index of Refraction: 1.643
Molar Refractivity: 90.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 6.23
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 42.67
ACD/KOC (pH 7.4): 221.59
Polar Surface Area: 49 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 250.2±3.0 cm3

Click to predict properties on the Chemicalize site


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