Found 23 results

Search term: MF = 'C_{18}H_{17}ClF_{2}N_{4}O_{2}S'
ChemSpider 2D Image | 3-{[3-(4-Chlorophenoxy)propyl]sulfanyl}-5-[(2,5-difluorophenoxy)methyl]-4H-1,2,4-triazol-4-amine | C18H17ClF2N4O2S

3-{[3-(4-Chlorophenoxy)propyl]sulfanyl}-5-[(2,5-difluorophenoxy)methyl]-4H-1,2,4-triazol-4-amine

  • Molecular FormulaC18H17ClF2N4O2S
  • Average mass426.868 Da
  • Monoisotopic mass426.072876 Da
  • ChemSpider ID126626104

More details:

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

3-{[3-(4-Chlorophenoxy)propyl]sulfanyl}-5-[(2,5-difluorophenoxy)methyl]-4H-1,2,4-triazol-4-amine [ACD/IUPAC Name]
3-{[3-(4-Chlorophénoxy)propyl]sulfanyl}-5-[(2,5-difluorophénoxy)méthyl]-4H-1,2,4-triazol-4-amine [French] [ACD/IUPAC Name]
3-{[3-(4-Chlorphenoxy)propyl]sulfanyl}-5-[(2,5-difluorphenoxy)methyl]-4H-1,2,4-triazol-4-amin [German] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, 3-[[3-(4-chlorophenoxy)propyl]thio]-5-[(2,5-difluorophenoxy)methyl]- [ACD/Index 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: 627.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 333.1±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 104.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1238.08
ACD/KOC (pH 5.5): 5693.54
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1238.16
ACD/KOC (pH 7.4): 5693.89
Polar Surface Area: 100 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 296.3±7.0 cm3

Click to predict properties on the Chemicalize site


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