ChemSpider 2D Image | 5-({[2-(3-Bromophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-1-(tetrahydro-2-furanylmethyl)-1H-tetrazole | C16H16BrN5OS2

5-({[2-(3-Bromophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-1-(tetrahydro-2-furanylmethyl)-1H-tetrazole

  • Molecular FormulaC16H16BrN5OS2
  • Average mass438.365 Da
  • Monoisotopic mass436.997955 Da
  • ChemSpider ID22438595

More details:

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

5-({[2-(3-Bromophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-1-(tetrahydro-2-furanylmethyl)-1H-tetrazole [ACD/IUPAC Name]
5-({[2-(3-Bromophényl)-1,3-thiazol-4-yl]méthyl}sulfanyl)-1-(tétrahydro-2-furanylméthyl)-1H-tétrazole [French] [ACD/IUPAC Name]
5-({[2-(3-Bromphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-1-(tetrahydro-2-furanylmethyl)-1H-tetrazol [German] [ACD/IUPAC Name]
Thiazole, 2-(3-bromophenyl)-4-[[[1-[(tetrahydro-2-furanyl)methyl]-1H-tetrazol-5-yl]thio]methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 631.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.8±34.3 °C
Index of Refraction: 1.783
Molar Refractivity: 106.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 166.58
ACD/KOC (pH 5.5): 1354.71
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 166.58
ACD/KOC (pH 7.4): 1354.73
Polar Surface Area: 119 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 67.6±7.0 dyne/cm
Molar Volume: 253.8±7.0 cm3

Click to predict properties on the Chemicalize site


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