ChemSpider 2D Image | Ethyl 2-{[(2-bromo-4,5-dimethylphenyl)sulfonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C19H22BrNO4S2

Ethyl 2-{[(2-bromo-4,5-dimethylphenyl)sulfonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC19H22BrNO4S2
  • Average mass472.416 Da
  • Monoisotopic mass471.017365 Da
  • ChemSpider ID28615574

More details:

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

2-{[(2-Bromo-4,5-diméthylphényl)sulfonyl]amino}-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-[[(2-bromo-4,5-dimethylphenyl)sulfonyl]amino]-4,5,6,7-tetrahydro-, ethyl ester [ACD/Index Name]
Ethyl 2-{[(2-bromo-4,5-dimethylphenyl)sulfonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-{[(2-brom-4,5-dimethylphenyl)sulfonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [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: 619.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.4±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 111.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 6.50
ACD/BCF (pH 5.5): 51558.56
ACD/KOC (pH 5.5): 82063.18
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 39200.64
ACD/KOC (pH 7.4): 62393.70
Polar Surface Area: 109 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 318.0±3.0 cm3

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