ChemSpider 2D Image | 1-(2-{[(1-Cyanoethyl)sulfonyl]amino}ethyl)-1H-1,2,3-triazole-4-carboxylic acid | C8H11N5O4S

1-(2-{[(1-Cyanoethyl)sulfonyl]amino}ethyl)-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC8H11N5O4S
  • Average mass273.269 Da
  • Monoisotopic mass273.053162 Da
  • ChemSpider ID49245784

More details:

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

1-(2-{[(1-Cyanethyl)sulfonyl]amino}ethyl)-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-(2-{[(1-Cyanoethyl)sulfonyl]amino}ethyl)-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-[2-[[(1-cyanoethyl)sulfonyl]amino]ethyl]- [ACD/Index Name]
Acide 1-(2-{[(1-cyanoéthyl)sulfonyl]amino}éthyl)-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 584.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 307.1±32.9 °C
Index of Refraction: 1.672
Molar Refractivity: 63.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.75
ACD/LogD (pH 5.5): -2.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 73.5±7.0 dyne/cm
Molar Volume: 168.7±7.0 cm3

Click to predict properties on the Chemicalize site


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