ChemSpider 2D Image | O-[4-(Benzyloxy)phenyl] S-(4-bromophenyl) carbonothioate | C20H15BrO3S

O-[4-(Benzyloxy)phenyl] S-(4-bromophenyl) carbonothioate

  • Molecular FormulaC20H15BrO3S
  • Average mass415.300 Da
  • Monoisotopic mass413.992523 Da
  • ChemSpider ID112408329

More details:

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

Carbonothioate de O-[4-(benzyloxy)phényle] et de S-(4-bromophényle) [French] [ACD/IUPAC Name]
Carbonothioic acid, S-(4-bromophenyl) O-[4-(phenylmethoxy)phenyl] ester [ACD/Index Name]
O-[4-(Benzyloxy)phenyl] S-(4-bromophenyl) carbonothioate [ACD/IUPAC Name]
O-[4-(Benzyloxy)phenyl]-S-(4-bromphenyl)carbonothioat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 529.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 274.0±32.9 °C
Index of Refraction: 1.676
Molar Refractivity: 104.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.11
ACD/LogD (pH 5.5): 6.09
ACD/BCF (pH 5.5): 25191.62
ACD/KOC (pH 5.5): 49204.43
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 25191.62
ACD/KOC (pH 7.4): 49204.43
Polar Surface Area: 61 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 278.4±5.0 cm3

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