ChemSpider 2D Image | 2-[(3-Bromobenzyl)sulfanyl]-N-(2-isopropyl-6-methylphenyl)acetamide | C19H22BrNOS

2-[(3-Bromobenzyl)sulfanyl]-N-(2-isopropyl-6-methylphenyl)acetamide

  • Molecular FormulaC19H22BrNOS
  • Average mass392.353 Da
  • Monoisotopic mass391.060547 Da
  • ChemSpider ID30632298

More details:

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

2-[(3-Brombenzyl)sulfanyl]-N-(2-isopropyl-6-methylphenyl)acetamid [German] [ACD/IUPAC Name]
2-[(3-Bromobenzyl)sulfanyl]-N-(2-isopropyl-6-methylphenyl)acetamide [ACD/IUPAC Name]
2-[(3-Bromobenzyl)sulfanyl]-N-(2-isopropyl-6-méthylphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[(3-bromophenyl)methyl]thio]-N-[2-methyl-6-(1-methylethyl)phenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 506.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.2±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 104.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8201.19
ACD/KOC (pH 5.5): 22035.62
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8202.40
ACD/KOC (pH 7.4): 22038.87
Polar Surface Area: 54 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 296.2±3.0 cm3

Click to predict properties on the Chemicalize site


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