ChemSpider 2D Image | Ethyl [(5-bromo-2-methoxybenzyl)sulfanyl]acetate | C12H15BrO3S

Ethyl [(5-bromo-2-methoxybenzyl)sulfanyl]acetate

  • Molecular FormulaC12H15BrO3S
  • Average mass319.215 Da
  • Monoisotopic mass317.992523 Da
  • ChemSpider ID31511961

More details:

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

[(5-Bromo-2-méthoxybenzyl)sulfanyl]acétate d'éthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[(5-bromo-2-methoxyphenyl)methyl]thio]-, ethyl ester [ACD/Index Name]
Ethyl [(5-bromo-2-methoxybenzyl)sulfanyl]acetate [ACD/IUPAC Name]
Ethyl-[(5-brom-2-methoxybenzyl)sulfanyl]acetat [German] [ACD/IUPAC 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: 376.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.4±3.0 kJ/mol
Flash Point: 181.5±26.5 °C
Index of Refraction: 1.557
Molar Refractivity: 73.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 538.32
ACD/KOC (pH 5.5): 3136.75
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 538.32
ACD/KOC (pH 7.4): 3136.75
Polar Surface Area: 61 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 229.4±3.0 cm3

Click to predict properties on the Chemicalize site


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