ChemSpider 2D Image | 2-Methyl-N-(2-sulfanylethyl)-1-benzofuran-3-carboxamide | C12H13NO2S

2-Methyl-N-(2-sulfanylethyl)-1-benzofuran-3-carboxamide

  • Molecular FormulaC12H13NO2S
  • Average mass235.302 Da
  • Monoisotopic mass235.066696 Da
  • ChemSpider ID26325340

More details:

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

2-Methyl-N-(2-sulfanylethyl)-1-benzofuran-3-carboxamid [German] [ACD/IUPAC Name]
2-Methyl-N-(2-sulfanylethyl)-1-benzofuran-3-carboxamide [ACD/IUPAC Name]
2-Méthyl-N-(2-sulfanyléthyl)-1-benzofurane-3-carboxamide [French] [ACD/IUPAC Name]
3-Benzofurancarboxamide, N-(2-mercaptoethyl)-2-methyl- [ACD/Index Name]
1F8

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

Density: 1.2±0.1 g/cm3
Boiling Point: 418.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 206.8±27.3 °C
Index of Refraction: 1.613
Molar Refractivity: 67.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 39.94
ACD/KOC (pH 5.5): 487.43
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 39.69
ACD/KOC (pH 7.4): 484.37
Polar Surface Area: 81 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 193.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement