Found 1 result

Search term: JRIUHORRZZNSJV-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-Methylbutyl 3-(phenylsulfanyl)-1H-indole-2-carboxylate | C20H21NO2S

3-Methylbutyl 3-(phenylsulfanyl)-1H-indole-2-carboxylate

  • Molecular FormulaC20H21NO2S
  • Average mass339.451 Da
  • Monoisotopic mass339.129303 Da
  • ChemSpider ID23265448

More details:

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

1H-Indole-2-carboxylic acid, 3-(phenylthio)-, 3-methylbutyl ester [ACD/Index Name]
3-(Phénylsulfanyl)-1H-indole-2-carboxylate de 3-méthylbutyle [French] [ACD/IUPAC Name]
3-Methylbutyl 3-(phenylsulfanyl)-1H-indole-2-carboxylate [ACD/IUPAC Name]
3-Methylbutyl-3-(phenylsulfanyl)-1H-indol-2-carboxylat [German] [ACD/IUPAC Name]
iso-pentyl 3-(phenylthio)-1H-indole-2-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 494.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 252.8±24.6 °C
Index of Refraction: 1.641
Molar Refractivity: 100.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.94
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 25642.61
ACD/KOC (pH 5.5): 49833.37
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 25642.61
ACD/KOC (pH 7.4): 49833.37
Polar Surface Area: 67 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 278.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement