ChemSpider 2D Image | 1-Methyl-4-[3-(methylsulfonyl)-1-propyn-1-yl]-1H-1,2,3-triazole-5-sulfonyl chloride | C7H8ClN3O4S2

1-Methyl-4-[3-(methylsulfonyl)-1-propyn-1-yl]-1H-1,2,3-triazole-5-sulfonyl chloride

  • Molecular FormulaC7H8ClN3O4S2
  • Average mass297.739 Da
  • Monoisotopic mass296.964478 Da
  • ChemSpider ID89702344

More details:

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

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

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

Density: 1.6±0.1 g/cm3
Boiling Point: 577.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 302.8±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 66.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.79
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.79
Polar Surface Area: 116 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 61.9±7.0 dyne/cm
Molar Volume: 185.3±7.0 cm3

Click to predict properties on the Chemicalize site


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