ChemSpider 2D Image | 2-[5-(Methylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-4,6-diphenylpyrimidine | C25H19N5S

2-[5-(Methylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-4,6-diphenylpyrimidine

  • Molecular FormulaC25H19N5S
  • Average mass421.517 Da
  • Monoisotopic mass421.136108 Da
  • ChemSpider ID23934566

More details:

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

2-[5-(Methylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-4,6-diphenylpyrimidin [German] [ACD/IUPAC Name]
2-[5-(Methylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-4,6-diphenylpyrimidine [ACD/IUPAC Name]
2-[5-(Méthylsulfanyl)-4-phényl-4H-1,2,4-triazol-3-yl]-4,6-diphénylpyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 2-[5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl]-4,6-diphenyl- [ACD/Index Name]
2-[5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl]-4,6-diphenylpyrimidine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 691.7±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.1±32.3 °C
Index of Refraction: 1.694
Molar Refractivity: 128.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 11139.43
ACD/KOC (pH 5.5): 27436.80
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11139.43
ACD/KOC (pH 7.4): 27436.80
Polar Surface Area: 82 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 335.4±7.0 cm3

Click to predict properties on the Chemicalize site


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