ChemSpider 2D Image | Methyl [3-(chlorosulfonyl)-5-methyl-1,2,4-triazolidin-4-yl]acetate | C6H12ClN3O4S

Methyl [3-(chlorosulfonyl)-5-methyl-1,2,4-triazolidin-4-yl]acetate

  • Molecular FormulaC6H12ClN3O4S
  • Average mass257.695 Da
  • Monoisotopic mass257.023712 Da
  • ChemSpider ID109731523

More details:

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

[3-(Chlorosulfonyl)-5-méthyl-1,2,4-triazolidin-4-yl]acétate de méthyle [French] [ACD/IUPAC Name]
1,2,4-Triazolidine-4-acetic acid, 3-(chlorosulfonyl)-5-methyl-, methyl ester [ACD/Index Name]
Methyl [3-(chlorosulfonyl)-5-methyl-1,2,4-triazolidin-4-yl]acetate [ACD/IUPAC Name]
Methyl-[3-(chlorsulfonyl)-5-methyl-1,2,4-triazolidin-4-yl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 354.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.0±3.0 kJ/mol
Flash Point: 168.3±27.9 °C
Index of Refraction: 1.563
Molar Refractivity: 54.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.33
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.32
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.72
Polar Surface Area: 96 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 167.7±5.0 cm3

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