ChemSpider 2D Image | 2-(4-Bromo-2-thienyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine | C12H11BrN4S2

2-(4-Bromo-2-thienyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine

  • Molecular FormulaC12H11BrN4S2
  • Average mass355.276 Da
  • Monoisotopic mass353.960846 Da
  • ChemSpider ID40376644

More details:

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

2-(4-Brom-2-thienyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamin [German] [ACD/IUPAC Name]
2-(4-Bromo-2-thienyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine [ACD/IUPAC Name]
2-(4-Bromo-2-thiényl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)éthanamine [French] [ACD/IUPAC Name]
2-Thiopheneethanamine, 4-bromo-β-(1,2,4-triazolo[4,3-a]pyridin-3-ylthio)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.804
Molar Refractivity: 85.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 3.21
ACD/KOC (pH 5.5): 42.17
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 27.76
ACD/KOC (pH 7.4): 364.78
Polar Surface Area: 110 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 70.7±7.0 dyne/cm
Molar Volume: 198.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement