ChemSpider 2D Image | 1-Phenyl-5-({[2-(trifluoromethyl)benzyl]sulfanyl}methyl)-1H-tetrazole | C16H13F3N4S

1-Phenyl-5-({[2-(trifluoromethyl)benzyl]sulfanyl}methyl)-1H-tetrazole

  • Molecular FormulaC16H13F3N4S
  • Average mass350.361 Da
  • Monoisotopic mass350.081299 Da
  • ChemSpider ID21869943

More details:

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

1H-Tetrazole, 1-phenyl-5-[[[[2-(trifluoromethyl)phenyl]methyl]thio]methyl]- [ACD/Index Name]
1-Phenyl-5-({[2-(trifluormethyl)benzyl]sulfanyl}methyl)-1H-tetrazol [German] [ACD/IUPAC Name]
1-Phenyl-5-({[2-(trifluoromethyl)benzyl]sulfanyl}methyl)-1H-tetrazole [ACD/IUPAC Name]
1-Phényl-5-({[2-(trifluorométhyl)benzyl]sulfanyl}méthyl)-1H-tétrazole [French] [ACD/IUPAC 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: 454.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 228.5±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 89.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 1000.87
ACD/KOC (pH 5.5): 4889.54
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 1000.88
ACD/KOC (pH 7.4): 4889.61
Polar Surface Area: 69 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 258.1±7.0 cm3

Click to predict properties on the Chemicalize site


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