ChemSpider 2D Image | (4-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)phenyl)(4-(methylthio)phenyl)methanone | C19H19NOS

(4-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)phenyl)(4-(methylthio)phenyl)methanone

  • Molecular FormulaC19H19NOS
  • Average mass309.425 Da
  • Monoisotopic mass309.118744 Da
  • ChemSpider ID21399342

More details:

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

(4-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)phenyl)(4-(methylthio)phenyl)methanone
[4-(2,5-Dihydro-1H-pyrrol-1-ylmethyl)phenyl][4-(methylsulfanyl)phenyl]methanon [German] [ACD/IUPAC Name]
[4-(2,5-Dihydro-1H-pyrrol-1-ylmethyl)phenyl][4-(methylsulfanyl)phenyl]methanone [ACD/IUPAC Name]
[4-(2,5-Dihydro-1H-pyrrol-1-ylméthyl)phényl][4-(méthylsulfanyl)phényl]méthanone [French] [ACD/IUPAC Name]
898763-97-8 [RN]
Methanone, [4-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]phenyl][4-(methylthio)phenyl]- [ACD/Index Name]
[4-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(4-methylsulfanylphenyl)methanone
{4-[(2,5-Dihydro-1H-pyrrol-1-yl)methyl]phenyl}[4-(methylsulfanyl)phenyl]methanone
4-(3-pyrrolinomethyl)-4'-thiomethylbenzophenone
MFCD03841850 [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: 465.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.4±28.7 °C
Index of Refraction: 1.654
Molar Refractivity: 93.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 6.63
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 51.37
ACD/KOC (pH 7.4): 293.01
Polar Surface Area: 46 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 255.9±5.0 cm3

Click to predict properties on the Chemicalize site


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