Found 159 results

Search term: MF = 'C_{16}H_{20}FN_{3}O_{2}S_{2}'
ChemSpider 2D Image | 3-[(1,1-Dioxidotetrahydro-3-thiophenyl)methyl]-5-{[1-(3-fluorophenyl)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazole | C16H20FN3O2S2

3-[(1,1-Dioxidotetrahydro-3-thiophenyl)methyl]-5-{[1-(3-fluorophenyl)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazole

  • Molecular FormulaC16H20FN3O2S2
  • Average mass369.477 Da
  • Monoisotopic mass369.098083 Da
  • ChemSpider ID31056692

More details:

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

3-[(1,1-Dioxidotetrahydro-3-thiophenyl)methyl]-5-{[1-(3-fluorophenyl)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazole [ACD/IUPAC Name]
3-[(1,1-Dioxidotetrahydro-3-thiophenyl)methyl]-5-{[1-(3-fluorphenyl)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-[(1,1-Dioxydotétrahydro-3-thiophényl)méthyl]-5-{[1-(3-fluorophényl)éthyl]sulfanyl}-4-méthyl-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole, 3-[[1-(3-fluorophenyl)ethyl]thio]-4-methyl-5-[(tetrahydro-1,1-dioxido-3-thienyl)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: 603.0±61.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.5±33.2 °C
Index of Refraction: 1.656
Molar Refractivity: 95.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.89
ACD/KOC (pH 5.5): 386.49
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.90
ACD/KOC (pH 7.4): 386.61
Polar Surface Area: 99 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 260.8±7.0 cm3

Click to predict properties on the Chemicalize site


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