ChemSpider 2D Image | 3-Chloro-2-methyl-N-(4H-1,2,4-triazol-3-ylmethyl)-1-propanesulfonamide | C7H13ClN4O2S

3-Chloro-2-methyl-N-(4H-1,2,4-triazol-3-ylmethyl)-1-propanesulfonamide

  • Molecular FormulaC7H13ClN4O2S
  • Average mass252.722 Da
  • Monoisotopic mass252.044769 Da
  • ChemSpider ID36212116

More details:

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

1-Propanesulfonamide, 3-chloro-2-methyl-N-(4H-1,2,4-triazol-3-ylmethyl)- [ACD/Index Name]
3-Chlor-2-methyl-N-(4H-1,2,4-triazol-3-ylmethyl)-1-propansulfonamid [German] [ACD/IUPAC Name]
3-Chloro-2-methyl-N-(4H-1,2,4-triazol-3-ylmethyl)-1-propanesulfonamide [ACD/IUPAC Name]
3-Chloro-2-méthyl-N-(4H-1,2,4-triazol-3-ylméthyl)-1-propanesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 465.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.2±31.5 °C
Index of Refraction: 1.549
Molar Refractivity: 56.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.43
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.16
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.36
Polar Surface Area: 96 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 178.2±3.0 cm3

Click to predict properties on the Chemicalize site


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