ChemSpider 2D Image | [2-(Methylsulfanyl)phenyl](7-phenyl-1,4-thiazepan-4-yl)methanone | C19H21NOS2

[2-(Methylsulfanyl)phenyl](7-phenyl-1,4-thiazepan-4-yl)methanone

  • Molecular FormulaC19H21NOS2
  • Average mass343.506 Da
  • Monoisotopic mass343.106445 Da
  • ChemSpider ID30767951

More details:

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

[2-(Methylsulfanyl)phenyl](7-phenyl-1,4-thiazepan-4-yl)methanon [German] [ACD/IUPAC Name]
[2-(Methylsulfanyl)phenyl](7-phenyl-1,4-thiazepan-4-yl)methanone [ACD/IUPAC Name]
[2-(Méthylsulfanyl)phényl](7-phényl-1,4-thiazépan-4-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [2-(methylthio)phenyl](tetrahydro-7-phenyl-1,4-thiazepin-4(5H)-yl)- [ACD/Index Name]
(2-(methylthio)phenyl)(7-phenyl-1,4-thiazepan-4-yl)methanone
1797737-58-6 [RN]
4-[2-(methylsulfanyl)benzoyl]-7-phenyl-1,4-thiazepane

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

Density: 1.2±0.1 g/cm3
Boiling Point: 532.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.0±30.1 °C
Index of Refraction: 1.655
Molar Refractivity: 101.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1564.93
ACD/KOC (pH 5.5): 6733.12
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1564.93
ACD/KOC (pH 7.4): 6733.12
Polar Surface Area: 71 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 277.4±5.0 cm3

Click to predict properties on the Chemicalize site


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