ChemSpider 2D Image | 6-{[4-Amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-2-pyridinecarbonitrile | C12H8N6S2

6-{[4-Amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-2-pyridinecarbonitrile

  • Molecular FormulaC12H8N6S2
  • Average mass300.362 Da
  • Monoisotopic mass300.025177 Da
  • ChemSpider ID70546253

More details:

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

2-Pyridinecarbonitrile, 6-[[4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
6-{[4-Amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-2-pyridincarbonitril [German] [ACD/IUPAC Name]
6-{[4-Amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-2-pyridinecarbonitrile [ACD/IUPAC Name]
6-{[4-Amino-5-(2-thiényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-2-pyridinecarbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 619.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.6±34.3 °C
Index of Refraction: 1.834
Molar Refractivity: 82.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.02
ACD/KOC (pH 5.5): 140.47
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.02
ACD/KOC (pH 7.4): 140.47
Polar Surface Area: 147 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 79.1±7.0 dyne/cm
Molar Volume: 187.8±7.0 cm3

Click to predict properties on the Chemicalize site


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