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ChemSpider 2D Image | [4-(Methylsulfanyl)phenyl][3-(4-thiomorpholinylmethyl)phenyl]methanone | C19H21NOS2

[4-(Methylsulfanyl)phenyl][3-(4-thiomorpholinylmethyl)phenyl]methanone

  • Molecular FormulaC19H21NOS2
  • Average mass343.506 Da
  • Monoisotopic mass343.106445 Da
  • ChemSpider ID21399684

More details:






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

[4-(Methylsulfanyl)phenyl][3-(4-thiomorpholinylmethyl)phenyl]methanon [German] [ACD/IUPAC Name]
[4-(Methylsulfanyl)phenyl][3-(4-thiomorpholinylmethyl)phenyl]methanone [ACD/IUPAC Name]
[4-(Méthylsulfanyl)phényl][3-(4-thiomorpholinylméthyl)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(methylthio)phenyl][3-(4-thiomorpholinylmethyl)phenyl]- [ACD/Index Name]
4'-thiomethyl-3-thiomorpholinomethyl benzophenone
898762-98-6 [RN]
MFCD03842246 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 513.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 264.2±30.1 °C
Index of Refraction: 1.659
Molar Refractivity: 101.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 132.43
ACD/KOC (pH 5.5): 578.01
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1317.00
ACD/KOC (pH 7.4): 5748.07
Polar Surface Area: 71 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 276.4±5.0 cm3

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