Found 368 results

Search term: MF = 'C_{11}H_{9}FN_{4}S'
ChemSpider 2D Image | 5-Fluoro-2-{[(1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}benzonitrile | C11H9FN4S

5-Fluoro-2-{[(1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}benzonitrile

  • Molecular FormulaC11H9FN4S
  • Average mass248.279 Da
  • Monoisotopic mass248.053192 Da
  • ChemSpider ID35175351

More details:

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

5-Fluor-2-{[(1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}benzonitril [German] [ACD/IUPAC Name]
5-Fluoro-2-{[(1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}benzonitrile [ACD/IUPAC Name]
5-Fluoro-2-{[(1-méthyl-1H-1,2,4-triazol-5-yl)sulfanyl]méthyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 5-fluoro-2-[[(1-methyl-1H-1,2,4-triazol-5-yl)thio]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 440.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 220.0±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 67.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.84
ACD/KOC (pH 5.5): 191.56
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.84
ACD/KOC (pH 7.4): 191.64
Polar Surface Area: 80 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 186.2±7.0 cm3

Click to predict properties on the Chemicalize site


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