ChemSpider 2D Image | 2-{[(4-Bromophenyl)sulfanyl]methyl}pyrrolidine | C11H14BrNS

2-{[(4-Bromophenyl)sulfanyl]methyl}pyrrolidine

  • Molecular FormulaC11H14BrNS
  • Average mass272.205 Da
  • Monoisotopic mass271.003021 Da
  • ChemSpider ID26739471

More details:

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

2-{[(4-Bromophenyl)sulfanyl]methyl}pyrrolidine [ACD/IUPAC Name]
2-{[(4-Bromophényl)sulfanyl]méthyl}pyrrolidine [French] [ACD/IUPAC Name]
2-{[(4-Bromphenyl)sulfanyl]methyl}pyrrolidin [German] [ACD/IUPAC Name]
Pyrrolidine, 2-[[(4-bromophenyl)thio]methyl]- [ACD/Index Name]
1248501-25-8 [RN]
1604376-61-5 [RN]
MFCD16075926

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

Density: 1.4±0.1 g/cm3
Boiling Point: 358.5±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 170.6±20.9 °C
Index of Refraction: 1.630
Molar Refractivity: 67.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.67
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.48
Polar Surface Area: 37 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 188.9±5.0 cm3

Click to predict properties on the Chemicalize site


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