ChemSpider 2D Image | 4-Methyl-5-(tetrahydro-2H-pyran-3-yl)-4H-1,2,4-triazole-3-sulfonyl chloride | C8H12ClN3O3S

4-Methyl-5-(tetrahydro-2H-pyran-3-yl)-4H-1,2,4-triazole-3-sulfonyl chloride

  • Molecular FormulaC8H12ClN3O3S
  • Average mass265.717 Da
  • Monoisotopic mass265.028778 Da
  • ChemSpider ID48226798

More details:

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

4H-1,2,4-Triazole-3-sulfonyl chloride, 4-methyl-5-(tetrahydro-2H-pyran-3-yl)- [ACD/Index Name]
4-Methyl-5-(tetrahydro-2H-pyran-3-yl)-4H-1,2,4-triazol-3-sulfonylchlorid [German] [ACD/IUPAC Name]
4-Methyl-5-(tetrahydro-2H-pyran-3-yl)-4H-1,2,4-triazole-3-sulfonyl chloride [ACD/IUPAC Name]
Chlorure de 4-méthyl-5-(tétrahydro-2H-pyran-3-yl)-4H-1,2,4-triazole-3-sulfonyle [French] [ACD/IUPAC Name]
4-methyl-5-(oxan-3-yl)-4H-1,2,4-triazole-3-sulfonyl chloride

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

Density: 1.7±0.1 g/cm3
Boiling Point: 481.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 244.8±31.5 °C
Index of Refraction: 1.673
Molar Refractivity: 59.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.44
ACD/KOC (pH 5.5): 45.22
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.44
ACD/KOC (pH 7.4): 45.22
Polar Surface Area: 82 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 159.9±7.0 cm3

Click to predict properties on the Chemicalize site


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