ChemSpider 2D Image | Methyl 4-methyl-1-benzothiophene-2-carboxylate | C11H10O2S

Methyl 4-methyl-1-benzothiophene-2-carboxylate

  • Molecular FormulaC11H10O2S
  • Average mass206.261 Da
  • Monoisotopic mass206.040146 Da
  • ChemSpider ID14303976

More details:

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

146137-98-6 [RN]
4-Méthyl-1-benzothiophène-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 4-methyl-, methyl ester [ACD/Index Name]
Methyl 4-methyl-1-benzothiophene-2-carboxylate [ACD/IUPAC Name]
Methyl 4-methylbenzo[b]thiophene-2-carboxylate
Methyl-4-methyl-1-benzothiophen-2-carboxylat [German] [ACD/IUPAC Name]
(S)-1-Cyclopropylethanamine
[146137-98-6] [RN]
[146140-99-0] [RN]
146140-99-0 [RN]
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 322.3±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.4±3.0 kJ/mol
    Flash Point: 148.7±22.3 °C
    Index of Refraction: 1.625
    Molar Refractivity: 59.1±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.74
    ACD/LogD (pH 5.5): 3.91
    ACD/BCF (pH 5.5): 551.90
    ACD/KOC (pH 5.5): 3193.21
    ACD/LogD (pH 7.4): 3.91
    ACD/BCF (pH 7.4): 551.90
    ACD/KOC (pH 7.4): 3193.21
    Polar Surface Area: 55 Å2
    Polarizability: 23.4±0.5 10-24cm3
    Surface Tension: 46.6±3.0 dyne/cm
    Molar Volume: 167.2±3.0 cm3

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