ChemSpider 2D Image | Ethyl 4-methyl-1-benzothiophene-2-carboxylate | C12H12O2S

Ethyl 4-methyl-1-benzothiophene-2-carboxylate

  • Molecular FormulaC12H12O2S
  • Average mass220.288 Da
  • Monoisotopic mass220.055801 Da
  • ChemSpider ID28420336

More details:

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

1260109-75-8 [RN]
4-Méthyl-1-benzothiophène-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 4-methyl-, ethyl ester [ACD/Index Name]
Ethyl 4-methyl-1-benzothiophene-2-carboxylate [ACD/IUPAC Name]
Ethyl 4-methylbenzo[b]thiophene-2-carboxylate
Ethyl-4-methyl-1-benzothiophen-2-carboxylat [German] [ACD/IUPAC Name]
(2S,4R)-1,2-dicarbobenzyloxy-4-hydroxypyrrolidine
[1260109-75-8] [RN]
Ethyl4-methylbenzo[b]thiophene-2-carboxylate
ETHYL-4-METHYLBENZO[B]THIOPHENE-2-CARBOXYLATE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 336.0±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.9±3.0 kJ/mol
    Flash Point: 157.0±22.3 °C
    Index of Refraction: 1.610
    Molar Refractivity: 63.7±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 5.27
    ACD/LogD (pH 5.5): 4.20
    ACD/BCF (pH 5.5): 911.60
    ACD/KOC (pH 5.5): 4573.28
    ACD/LogD (pH 7.4): 4.20
    ACD/BCF (pH 7.4): 911.60
    ACD/KOC (pH 7.4): 4573.28
    Polar Surface Area: 55 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 45.3±3.0 dyne/cm
    Molar Volume: 183.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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