ChemSpider 2D Image | 5-(1,1-Dioxidotetrahydro-3-thiophenyl)-4H-1,2,4-triazole-3-sulfonyl chloride | C6H8ClN3O4S2

5-(1,1-Dioxidotetrahydro-3-thiophenyl)-4H-1,2,4-triazole-3-sulfonyl chloride

  • Molecular FormulaC6H8ClN3O4S2
  • Average mass285.728 Da
  • Monoisotopic mass284.964478 Da
  • ChemSpider ID48226757

More details:

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

4H-1,2,4-Triazole-3-sulfonyl chloride, 5-(tetrahydro-1,1-dioxido-3-thienyl)- [ACD/Index Name]
5-(1,1-Dioxidotetrahydro-3-thiophenyl)-4H-1,2,4-triazol-3-sulfonylchlorid [German] [ACD/IUPAC Name]
5-(1,1-Dioxidotetrahydro-3-thiophenyl)-4H-1,2,4-triazole-3-sulfonyl chloride [ACD/IUPAC Name]
Chlorure de 5-(1,1-dioxydotétrahydro-3-thiophényl)-4H-1,2,4-triazole-3-sulfonyle [French] [ACD/IUPAC Name]
5-(1,1-dioxo-1??-thiolan-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: 1.8±0.1 g/cm3
Boiling Point: 676.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 363.0±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 55.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.19
ACD/LogD (pH 5.5): -2.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 80.1±3.0 dyne/cm
Molar Volume: 160.9±3.0 cm3

Click to predict properties on the Chemicalize site


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