ChemSpider 2D Image | 5-tert-butyl-3-(1H-pyrrol-1-yl)thiophene-2-carboxylic acid | C13H15NO2S

5-tert-butyl-3-(1H-pyrrol-1-yl)thiophene-2-carboxylic acid

  • Molecular FormulaC13H15NO2S
  • Average mass249.329 Da
  • Monoisotopic mass249.082352 Da
  • ChemSpider ID26231908

More details:

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

1305711-48-1 [RN]
2-Thiophenecarboxylic acid, 5-(1,1-dimethylethyl)-3-(1H-pyrrol-1-yl)- [ACD/Index Name]
5-(2-Methyl-2-propanyl)-3-(1H-pyrrol-1-yl)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-(2-Methyl-2-propanyl)-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
5-tert-butyl-3-(1H-pyrrol-1-yl)thiophene-2-carboxylic acid
Acide 5-(2-méthyl-2-propanyl)-3-(1H-pyrrol-1-yl)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
5-(tert-Butyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylic acid
5-tert-Butyl-3-(1H-pyrrol-1-yl)-thiophene-2-carboxylic acid
5-TERT-BUTYL-3-(PYRROL-1-YL)THIOPHENE-2-CARBOXYLIC ACID
5-tert-butyl-3-pyrrol-1-ylthiophene-2-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: 394.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 192.5±27.9 °C
Index of Refraction: 1.598
Molar Refractivity: 70.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 4.32
ACD/KOC (pH 5.5): 22.53
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.18
Polar Surface Area: 70 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 207.5±7.0 cm3

Click to predict properties on the Chemicalize site


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