ChemSpider 2D Image | methyl 4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate | C9H11NO2S

methyl 4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate

  • Molecular FormulaC9H11NO2S
  • Average mass197.254 Da
  • Monoisotopic mass197.051056 Da
  • ChemSpider ID28535196

More details:

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

1256813-70-3 [RN]
4,5,6,7-Tétrahydrothiéno[2,3-c]pyridine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate [ACD/IUPAC Name]
methyl 4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate
Methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-carboxylat [German] [ACD/IUPAC Name]
Thieno[2,3-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-, methyl ester [ACD/Index Name]
[1256813-70-3] [RN]
4,5,6,7-Tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester
METHYL-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE-3-CARBOXYLATE
MFCD22381067 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 353.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.8±3.0 kJ/mol
    Flash Point: 167.4±27.9 °C
    Index of Refraction: 1.564
    Molar Refractivity: 51.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.03
    ACD/LogD (pH 5.5): -1.02
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.64
    ACD/BCF (pH 7.4): 1.04
    ACD/KOC (pH 7.4): 18.61
    Polar Surface Area: 67 Å2
    Polarizability: 20.6±0.5 10-24cm3
    Surface Tension: 45.3±3.0 dyne/cm
    Molar Volume: 159.7±3.0 cm3

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