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Search term: XAWUGIXZAVINGD-UHFFFAOYSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 1-Benzyl-5-(methylsulfonyl)-1H-tetrazole | C9H10N4O2S

1-Benzyl-5-(methylsulfonyl)-1H-tetrazole

  • Molecular FormulaC9H10N4O2S
  • Average mass238.266 Da
  • Monoisotopic mass238.052444 Da
  • ChemSpider ID21612399

More details:






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

1-Benzyl-5-(methylsulfonyl)-1H-tetrazol [German] [ACD/IUPAC Name]
1-Benzyl-5-(methylsulfonyl)-1H-tetrazole [ACD/IUPAC Name]
1-Benzyl-5-(méthylsulfonyl)-1H-tétrazole [French] [ACD/IUPAC Name]
1H-Tetrazole, 5-(methylsulfonyl)-1-(phenylmethyl)- [ACD/Index Name]
1-Benzyl-5-methanesulfonyl-1H-tetrazole

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 452.9±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 227.7±26.8 °C
Index of Refraction: 1.670
Molar Refractivity: 61.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.30
ACD/KOC (pH 5.5): 233.62
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.30
ACD/KOC (pH 7.4): 233.62
Polar Surface Area: 86 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 60.2±7.0 dyne/cm
Molar Volume: 164.9±7.0 cm3

Click to predict properties on the Chemicalize site






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