Found 67 results

Search term: MF = 'C_{7}H_{9}N_{5}O_{4}S'
ChemSpider 2D Image | 1-(2-{[(Cyanomethyl)sulfonyl]amino}ethyl)-1H-1,2,3-triazole-4-carboxylic acid | C7H9N5O4S

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

  • Molecular FormulaC7H9N5O4S
  • Average mass259.242 Da
  • Monoisotopic mass259.037537 Da
  • ChemSpider ID49245814

More details:

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

1-(2-{[(Cyanmethyl)sulfonyl]amino}ethyl)-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-(2-{[(Cyanomethyl)sulfonyl]amino}ethyl)-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-[2-[[(cyanomethyl)sulfonyl]amino]ethyl]- [ACD/Index Name]
Acide 1-(2-{[(cyanométhyl)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: 1.7±0.1 g/cm3
Boiling Point: 600.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 317.1±34.3 °C
Index of Refraction: 1.691
Molar Refractivity: 58.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -2.10
ACD/LogD (pH 5.5): -3.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 82.8±7.0 dyne/cm
Molar Volume: 153.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement