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

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

  • Molecular FormulaC19H19NOS
  • Average mass309.425 Da
  • Monoisotopic mass309.118744 Da
  • ChemSpider ID21399341

More details:

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

(4-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)phenyl)(2-(methylthio)phenyl)methanone
[4-(2,5-Dihydro-1H-pyrrol-1-ylmethyl)phenyl][2-(methylsulfanyl)phenyl]methanon [German] [ACD/IUPAC Name]
[4-(2,5-Dihydro-1H-pyrrol-1-ylmethyl)phenyl][2-(methylsulfanyl)phenyl]methanone [ACD/IUPAC Name]
[4-(2,5-Dihydro-1H-pyrrol-1-ylméthyl)phényl][2-(méthylsulfanyl)phényl]méthanone [French] [ACD/IUPAC Name]
898763-95-6 [RN]
Methanone, [4-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]phenyl][2-(methylthio)phenyl]- [ACD/Index Name]
[4-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone
{4-[(2,5-Dihydro-1H-pyrrol-1-yl)methyl]phenyl}[2-(methylsulfanyl)phenyl]methanone
4'-(3-pyrrolinomethyl)-2-thiomethylbenzophenone
MFCD03841849 [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: 473.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 240.3±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: 3.70
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 6.34
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 48.41
ACD/KOC (pH 7.4): 286.40
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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