Found 67 results

Search term: MF = 'C_{7}H_{9}N_{5}O_{4}S'
ChemSpider 2D Image | 5-{[1-(Methylsulfonyl)-1H-1,2,3-triazol-4-yl]methyl}-1H-imidazole-2,4-diol | C7H9N5O4S

5-{[1-(Methylsulfonyl)-1H-1,2,3-triazol-4-yl]methyl}-1H-imidazole-2,4-diol

  • Molecular FormulaC7H9N5O4S
  • Average mass259.242 Da
  • Monoisotopic mass259.037537 Da
  • ChemSpider ID84730523

More details:

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

1H-Imidazole-2,4-diol, 5-[[1-(methylsulfonyl)-1H-1,2,3-triazol-4-yl]methyl]- [ACD/Index Name]
5-{[1-(Methylsulfonyl)-1H-1,2,3-triazol-4-yl]methyl}-1H-imidazol-2,4-diol [German] [ACD/IUPAC Name]
5-{[1-(Methylsulfonyl)-1H-1,2,3-triazol-4-yl]methyl}-1H-imidazole-2,4-diol [ACD/IUPAC Name]
5-{[1-(Méthylsulfonyl)-1H-1,2,3-triazol-4-yl]méthyl}-1H-imidazole-2,4-diol [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 687.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 369.6±34.3 °C
Index of Refraction: 1.814
Molar Refractivity: 57.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.17
ACD/LogD (pH 5.5): -3.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 96.0±7.0 dyne/cm
Molar Volume: 132.0±7.0 cm3

Click to predict properties on the Chemicalize site


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