ChemSpider 2D Image | Ethyl 4-ethyl-5-methyl-2-(1H-pyrrol-1-yl)-3-thiophenecarboxylate | C14H17NO2S

Ethyl 4-ethyl-5-methyl-2-(1H-pyrrol-1-yl)-3-thiophenecarboxylate

  • Molecular FormulaC14H17NO2S
  • Average mass263.355 Da
  • Monoisotopic mass263.097992 Da
  • ChemSpider ID21467991

More details:

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

3-Thiophenecarboxylic acid, 4-ethyl-5-methyl-2-(1H-pyrrol-1-yl)-, ethyl ester [ACD/Index Name]
4-Éthyl-5-méthyl-2-(1H-pyrrol-1-yl)-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-ethyl-5-methyl-2-(1H-pyrrol-1-yl)-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-4-ethyl-5-methyl-2-(1H-pyrrol-1-yl)-3-thiophencarboxylat [German] [ACD/IUPAC Name]
952959-33-0 [RN]
ethyl 4-ethyl-5-methyl-2-(1H-pyrrol-1-yl)thiophene-3-carboxylate
ETHYL 4-ETHYL-5-METHYL-2-(PYRROL-1-YL)THIOPHENE-3-CARBOXYLATE
ethyl 4-ethyl-5-methyl-2-pyrrol-1-ylthiophene-3-carboxylate
MFCD08752922 [MDL number]
QA-4319

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

Density: 1.2±0.1 g/cm3
Boiling Point: 402.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 197.5±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 75.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 758.12
ACD/KOC (pH 5.5): 4007.89
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 758.12
ACD/KOC (pH 7.4): 4007.89
Polar Surface Area: 59 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 39.8±7.0 dyne/cm
Molar Volume: 227.5±7.0 cm3

Click to predict properties on the Chemicalize site


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