ChemSpider 2D Image | 4-(2-Bromoethyl)-1-{[2-(3-thienyl)-1,3-thiazol-4-yl]methyl}-1H-1,2,3-triazole | C12H11BrN4S2

4-(2-Bromoethyl)-1-{[2-(3-thienyl)-1,3-thiazol-4-yl]methyl}-1H-1,2,3-triazole

  • Molecular FormulaC12H11BrN4S2
  • Average mass355.276 Da
  • Monoisotopic mass353.960846 Da
  • ChemSpider ID40638903

More details:

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

4-(2-Bromethyl)-1-{[2-(3-thienyl)-1,3-thiazol-4-yl]methyl}-1H-1,2,3-triazol [German] [ACD/IUPAC Name]
4-(2-Bromoethyl)-1-{[2-(3-thienyl)-1,3-thiazol-4-yl]methyl}-1H-1,2,3-triazole [ACD/IUPAC Name]
4-(2-Bromoéthyl)-1-{[2-(3-thiényl)-1,3-thiazol-4-yl]méthyl}-1H-1,2,3-triazole [French] [ACD/IUPAC Name]
Thiazole, 4-[[4-(2-bromoethyl)-1H-1,2,3-triazol-1-yl]methyl]-2-(3-thienyl)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 540.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.7±32.9 °C
Index of Refraction: 1.777
Molar Refractivity: 86.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 159.24
ACD/KOC (pH 5.5): 1311.67
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 159.24
ACD/KOC (pH 7.4): 1311.72
Polar Surface Area: 100 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 65.9±7.0 dyne/cm
Molar Volume: 206.8±7.0 cm3

Click to predict properties on the Chemicalize site


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