ChemSpider 2D Image | 5-Isopropyl-4-methyl-2-(1H-pyrrol-1-yl)-3-thiophenecarboxylic acid | C13H15NO2S

5-Isopropyl-4-methyl-2-(1H-pyrrol-1-yl)-3-thiophenecarboxylic acid

  • Molecular FormulaC13H15NO2S
  • Average mass249.329 Da
  • Monoisotopic mass249.082352 Da
  • ChemSpider ID21468341

More details:

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

3-Thiophenecarboxylic acid, 4-methyl-5-(1-methylethyl)-2-(1H-pyrrol-1-yl)- [ACD/Index Name]
4-methyl-5-(propan-2-yl)-2-(1H-pyrrol-1-yl)thiophene-3-carboxylic acid
5-Isopropyl-4-methyl-2-(1H-pyrrol-1-yl)-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-Isopropyl-4-methyl-2-(1H-pyrrol-1-yl)-3-thiophenecarboxylic acid [ACD/IUPAC Name]
952959-50-1 [RN]
Acide 5-isopropyl-4-méthyl-2-(1H-pyrrol-1-yl)-3-thiophènecarboxylique [French] [ACD/IUPAC Name]
4-methyl-5-propan-2-yl-2-pyrrol-1-ylthiophene-3-carboxylic acid
5-isopropyl-4-methyl-2-(1H-pyrrol-1-yl)thiophene-3-carboxylic acid
5-ISOPROPYL-4-METHYL-2-(PYRROL-1-YL)THIOPHENE-3-CARBOXYLIC ACID
5-Isopropyl-4-methyl-2-pyrrol-1-yl-thiophene-3-carboxylic acid
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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: 408.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.6±3.0 kJ/mol
    Flash Point: 200.8±28.7 °C
    Index of Refraction: 1.612
    Molar Refractivity: 70.3±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.16
    ACD/LogD (pH 5.5): 2.08
    ACD/BCF (pH 5.5): 8.03
    ACD/KOC (pH 5.5): 45.80
    ACD/LogD (pH 7.4): 0.88
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.90
    Polar Surface Area: 70 Å2
    Polarizability: 27.9±0.5 10-24cm3
    Surface Tension: 43.5±7.0 dyne/cm
    Molar Volume: 202.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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