ChemSpider 2D Image | 5-{[(2-Aminoethyl)sulfanyl]methyl}-2-furaldehyde | C8H11NO2S

5-{[(2-Aminoethyl)sulfanyl]methyl}-2-furaldehyde

  • Molecular FormulaC8H11NO2S
  • Average mass185.243 Da
  • Monoisotopic mass185.051056 Da
  • ChemSpider ID35035136

More details:

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

2-Furancarboxaldehyde, 5-[[(2-aminoethyl)thio]methyl]- [ACD/Index Name]
5-{[(2-Aminoethyl)sulfanyl]methyl}-2-furaldehyd [German] [ACD/IUPAC Name]
5-{[(2-Aminoethyl)sulfanyl]methyl}-2-furaldehyde [ACD/IUPAC Name]
5-{[(2-Aminoéthyl)sulfanyl]méthyl}-2-furaldéhyde [French] [ACD/IUPAC Name]
5-{[(2-Aminoethyl)sulfanyl]methyl}furan-2-Carbaldehyde

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

Density: 1.2±0.1 g/cm3
Boiling Point: 337.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.0±3.0 kJ/mol
Flash Point: 157.6±27.9 °C
Index of Refraction: 1.592
Molar Refractivity: 51.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.42
ACD/LogD (pH 5.5): -2.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.16
Polar Surface Area: 82 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 150.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement