ChemSpider 2D Image | 2-(4-Methyl-5-{[(2Z)-3-phenyl-2-propen-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridine | C17H16N4S

2-(4-Methyl-5-{[(2Z)-3-phenyl-2-propen-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridine

  • Molecular FormulaC17H16N4S
  • Average mass308.401 Da
  • Monoisotopic mass308.109558 Da
  • ChemSpider ID127978083

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(4-Methyl-5-{[(2Z)-3-phenyl-2-propen-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridin [German] [ACD/IUPAC Name]
2-(4-Methyl-5-{[(2Z)-3-phenyl-2-propen-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridine [ACD/IUPAC Name]
2-(4-Méthyl-5-{[(2Z)-3-phényl-2-propén-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridine [French] [ACD/IUPAC Name]
Pyridine, 2-[4-methyl-5-[[(2Z)-3-phenyl-2-propen-1-yl]thio]-4H-1,2,4-triazol-3-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 536.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.2±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 94.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 513.61
ACD/KOC (pH 5.5): 3032.99
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 513.62
ACD/KOC (pH 7.4): 3033.05
Polar Surface Area: 69 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 259.3±7.0 cm3

Click to predict properties on the Chemicalize site


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