ChemSpider 2D Image | [2-(4-Bromophenyl)cyclopropyl](1,4-thiazepan-4-yl)methanone | C15H18BrNOS

[2-(4-Bromophenyl)cyclopropyl](1,4-thiazepan-4-yl)methanone

  • Molecular FormulaC15H18BrNOS
  • Average mass340.279 Da
  • Monoisotopic mass339.029236 Da
  • ChemSpider ID31015486

More details:

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

[2-(4-Bromophenyl)cyclopropyl](1,4-thiazepan-4-yl)methanone [ACD/IUPAC Name]
[2-(4-Bromophényl)cyclopropyl](1,4-thiazépan-4-yl)méthanone [French] [ACD/IUPAC Name]
[2-(4-Bromphenyl)cyclopropyl](1,4-thiazepan-4-yl)methanon [German] [ACD/IUPAC Name]
Methanone, [2-(4-bromophenyl)cyclopropyl](tetrahydro-1,4-thiazepin-4(5H)-yl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 490.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 250.3±28.7 °C
Index of Refraction: 1.625
Molar Refractivity: 83.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 215.18
ACD/KOC (pH 5.5): 1627.14
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 215.18
ACD/KOC (pH 7.4): 1627.14
Polar Surface Area: 46 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 235.6±3.0 cm3

Click to predict properties on the Chemicalize site


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