ChemSpider 2D Image | 2-[(2S)-2-Butanyldisulfanyl]-1H-imidazole | C7H12N2S2

2-[(2S)-2-Butanyldisulfanyl]-1H-imidazole

  • Molecular FormulaC7H12N2S2
  • Average mass188.314 Da
  • Monoisotopic mass188.044189 Da
  • ChemSpider ID32788343

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Imidazole, 2-[[(1S)-1-methylpropyl]dithio]- [ACD/Index Name]
2-[(2S)-2-Butanyldisulfanyl]-1H-imidazol [German] [ACD/IUPAC Name]
2-[(2S)-2-Butanyldisulfanyl]-1H-imidazole [ACD/IUPAC Name]
2-[(2S)-2-Butanyldisulfanyl]-1H-imidazole [French] [ACD/IUPAC Name]
2-[(2S)-BUTAN-2-YLDISULFANYL]-1H-IMIDAZOLE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 330.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.3±3.0 kJ/mol
Flash Point: 153.4±23.2 °C
Index of Refraction: 1.590
Molar Refractivity: 53.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 52.53
ACD/KOC (pH 5.5): 547.22
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.42
ACD/KOC (pH 7.4): 723.14
Polar Surface Area: 79 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 157.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement