ChemSpider 2D Image | (2-(Azetidin-1-ylmethyl)phenyl)(4-(methylthio)phenyl)methanone | C18H19NOS

(2-(Azetidin-1-ylmethyl)phenyl)(4-(methylthio)phenyl)methanone

  • Molecular FormulaC18H19NOS
  • Average mass297.415 Da
  • Monoisotopic mass297.118744 Da
  • ChemSpider ID21400022

More details:

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

(2-(Azetidin-1-ylmethyl)phenyl)(4-(methylthio)phenyl)methanone
[2-(1-Azetidinylmethyl)phenyl][4-(methylsulfanyl)phenyl]methanon [German] [ACD/IUPAC Name]
[2-(1-Azetidinylmethyl)phenyl][4-(methylsulfanyl)phenyl]methanone [ACD/IUPAC Name]
[2-(1-Azétidinylméthyl)phényl][4-(méthylsulfanyl)phényl]méthanone [French] [ACD/IUPAC Name]
898754-65-9 [RN]
Methanone, [2-(1-azetidinylmethyl)phenyl][4-(methylthio)phenyl]- [ACD/Index Name]
[2-(azetidin-1-ylmethyl)phenyl]-(4-methylsulfanylphenyl)methanone
{2-[(Azetidin-1-yl)methyl]phenyl}[4-(methylsulfanyl)phenyl]methanone
1-({2-[4-(METHYLSULFANYL)BENZOYL]PHENYL}METHYL)AZETIDINE
2-AZETIDIN-1-YLMETHYL-4'-THIOMETHYLBENZOPHENONE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 466.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 235.6±25.9 °C
Index of Refraction: 1.644
Molar Refractivity: 89.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.15
ACD/KOC (pH 5.5): 7.22
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 56.77
ACD/KOC (pH 7.4): 356.08
Polar Surface Area: 46 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 246.3±5.0 cm3

Click to predict properties on the Chemicalize site


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