Found 45 results

Search term: MF = 'C_{11}H_{9}F_{2}N_{5}OS'
ChemSpider 2D Image | 3-({3-[2-(Difluoromethoxy)-3-pyridinyl]-2-propyn-1-yl}sulfanyl)-1H-1,2,4-triazol-5-amine | C11H9F2N5OS

3-({3-[2-(Difluoromethoxy)-3-pyridinyl]-2-propyn-1-yl}sulfanyl)-1H-1,2,4-triazol-5-amine

  • Molecular FormulaC11H9F2N5OS
  • Average mass297.284 Da
  • Monoisotopic mass297.049591 Da
  • ChemSpider ID91818495

More details:

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

1H-1,2,4-Triazol-5-amine, 3-[[3-[2-(difluoromethoxy)-3-pyridinyl]-2-propyn-1-yl]thio]- [ACD/Index Name]
3-({3-[2-(Difluormethoxy)-3-pyridinyl]-2-propin-1-yl}sulfanyl)-1H-1,2,4-triazol-5-amin [German] [ACD/IUPAC Name]
3-({3-[2-(Difluoromethoxy)-3-pyridinyl]-2-propyn-1-yl}sulfanyl)-1H-1,2,4-triazol-5-amine [ACD/IUPAC Name]
3-({3-[2-(Difluorométhoxy)-3-pyridinyl]-2-propyn-1-yl}sulfanyl)-1H-1,2,4-triazol-5-amine [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: 526.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.9±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 68.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.75
ACD/KOC (pH 5.5): 226.98
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.80
ACD/KOC (pH 7.4): 227.65
Polar Surface Area: 115 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 83.3±5.0 dyne/cm
Molar Volume: 191.4±5.0 cm3

Click to predict properties on the Chemicalize site


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