ChemSpider 2D Image | N-(2-Bromobenzyl)-N-methyl-2-{[1-(2-thienylmethyl)-1H-tetrazol-5-yl]sulfanyl}acetamide | C16H16BrN5OS2

N-(2-Bromobenzyl)-N-methyl-2-{[1-(2-thienylmethyl)-1H-tetrazol-5-yl]sulfanyl}acetamide

  • Molecular FormulaC16H16BrN5OS2
  • Average mass438.365 Da
  • Monoisotopic mass436.997955 Da
  • ChemSpider ID22070306

More details:

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

Acetamide, N-[(2-bromophenyl)methyl]-N-methyl-2-[[1-(2-thienylmethyl)-1H-tetrazol-5-yl]thio]- [ACD/Index Name]
N-(2-Brombenzyl)-N-methyl-2-{[1-(2-thienylmethyl)-1H-tetrazol-5-yl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
N-(2-Bromobenzyl)-N-methyl-2-{[1-(2-thienylmethyl)-1H-tetrazol-5-yl]sulfanyl}acetamide [ACD/IUPAC Name]
N-(2-Bromobenzyl)-N-méthyl-2-{[1-(2-thiénylméthyl)-1H-tétrazol-5-yl]sulfanyl}acétamide [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: 619.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.3±34.3 °C
Index of Refraction: 1.717
Molar Refractivity: 109.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 177.32
ACD/KOC (pH 5.5): 1416.66
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 177.32
ACD/KOC (pH 7.4): 1416.69
Polar Surface Area: 117 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 278.3±7.0 cm3

Click to predict properties on the Chemicalize site


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