ChemSpider 2D Image | 5-(4-Pyrimidinyl)-1,2,4-triazolidine-3-sulfonyl chloride | C6H8ClN5O2S

5-(4-Pyrimidinyl)-1,2,4-triazolidine-3-sulfonyl chloride

  • Molecular FormulaC6H8ClN5O2S
  • Average mass249.678 Da
  • Monoisotopic mass249.008728 Da
  • ChemSpider ID61646938

More details:

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

1,2,4-Triazolidine-3-sulfonyl chloride, 5-(4-pyrimidinyl)- [ACD/Index Name]
5-(4-Pyrimidinyl)-1,2,4-triazolidin-3-sulfonylchlorid [German] [ACD/IUPAC Name]
5-(4-Pyrimidinyl)-1,2,4-triazolidine-3-sulfonyl chloride [ACD/IUPAC Name]
Chlorure de 5-(4-pyrimidinyl)-1,2,4-triazolidine-3-sulfonyle [French] [ACD/IUPAC Name]
1935305-83-1 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 451.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 227.0±28.7 °C
Index of Refraction: 1.664
Molar Refractivity: 54.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.29
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.10
ACD/LogD (pH 7.4): -1.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.10
Polar Surface Area: 104 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 86.4±5.0 dyne/cm
Molar Volume: 145.9±5.0 cm3

Click to predict properties on the Chemicalize site


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