ChemSpider 2D Image | 4-Methyl-3-{[1-(phenylsulfonyl)-3-azetidinyl]sulfonyl}-4H-1,2,4-triazole | C12H14N4O4S2

4-Methyl-3-{[1-(phenylsulfonyl)-3-azetidinyl]sulfonyl}-4H-1,2,4-triazole

  • Molecular FormulaC12H14N4O4S2
  • Average mass342.394 Da
  • Monoisotopic mass342.045654 Da
  • ChemSpider ID35011578

More details:






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

4H-1,2,4-Triazole, 4-methyl-3-[[1-(phenylsulfonyl)-3-azetidinyl]sulfonyl]- [ACD/Index Name]
4-Methyl-3-{[1-(phenylsulfonyl)-3-azetidinyl]sulfonyl}-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
4-Methyl-3-{[1-(phenylsulfonyl)-3-azetidinyl]sulfonyl}-4H-1,2,4-triazole [ACD/IUPAC Name]
4-Méthyl-3-{[1-(phénylsulfonyl)-3-azétidinyl]sulfonyl}-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
2034444-45-4 [RN]
3-{[1-(benzenesulfonyl)azetidin-3-yl]sulfonyl}-4-methyl-4H-1,2,4-triazole
4-methyl-3-((1-(phenylsulfonyl)azetidin-3-yl)sulfonyl)-4H-1,2,4-triazole

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

Density: 1.6±0.1 g/cm3
Boiling Point: 594.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.3±32.9 °C
Index of Refraction: 1.722
Molar Refractivity: 83.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.11
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 2.14
ACD/KOC (pH 5.5): 60.09
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 2.14
ACD/KOC (pH 7.4): 60.09
Polar Surface Area: 119 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 72.5±7.0 dyne/cm
Molar Volume: 211.0±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement