ChemSpider 2D Image | 4-[(2-Isopropoxyethyl)sulfonyl]-1H-1,2,3-triazole | C7H13N3O3S

4-[(2-Isopropoxyethyl)sulfonyl]-1H-1,2,3-triazole

  • Molecular FormulaC7H13N3O3S
  • Average mass219.261 Da
  • Monoisotopic mass219.067764 Da
  • ChemSpider ID30127306

More details:

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

1H-1,2,3-Triazole, 5-[[2-(1-methylethoxy)ethyl]sulfonyl]- [ACD/Index Name]
4-[(2-Isopropoxyethyl)sulfonyl]-1H-1,2,3-triazol [German] [ACD/IUPAC Name]
4-[(2-Isopropoxyethyl)sulfonyl]-1H-1,2,3-triazole [ACD/IUPAC Name]
4-[(2-Isopropoxyéthyl)sulfonyl]-1H-1,2,3-triazole [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 442.2±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.3±3.0 kJ/mol
Flash Point: 221.3±27.6 °C
Index of Refraction: 1.504
Molar Refractivity: 50.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.82
ACD/LogD (pH 7.4): -1.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 168.7±3.0 cm3

Click to predict properties on the Chemicalize site


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