ChemSpider 2D Image | 4-[(Z)-2-(Methylsulfanyl)vinyl]-1-phenyl-1H-1,2,3-triazole | C11H11N3S

4-[(Z)-2-(Methylsulfanyl)vinyl]-1-phenyl-1H-1,2,3-triazole

  • Molecular FormulaC11H11N3S
  • Average mass217.290 Da
  • Monoisotopic mass217.067368 Da
  • ChemSpider ID26667272

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-1,2,3-Triazole, 4-[(Z)-2-(methylthio)ethenyl]-1-phenyl- [ACD/Index Name]
4-[(Z)-2-(Methylsulfanyl)vinyl]-1-phenyl-1H-1,2,3-triazol [German] [ACD/IUPAC Name]
4-[(Z)-2-(Methylsulfanyl)vinyl]-1-phenyl-1H-1,2,3-triazole [ACD/IUPAC Name]
4-[(Z)-2-(Méthylsulfanyl)vinyl]-1-phényl-1H-1,2,3-triazole [French] [ACD/IUPAC Name]
(Z)-4-(2-(methylthio)ethen-1-yl)-1-phenyl-1,2,3-triazole

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

Density: 1.2±0.1 g/cm3
Boiling Point: 410.9±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 202.3±29.3 °C
Index of Refraction: 1.624
Molar Refractivity: 65.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 62.78
ACD/KOC (pH 5.5): 673.76
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 62.78
ACD/KOC (pH 7.4): 673.76
Polar Surface Area: 56 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 186.5±7.0 cm3

Click to predict properties on the Chemicalize site


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