ChemSpider 2D Image | 2-(4-Bromophenyl)-5-[(3-chlorobenzyl)sulfanyl]-1,3,4-oxadiazole | C15H10BrClN2OS

2-(4-Bromophenyl)-5-[(3-chlorobenzyl)sulfanyl]-1,3,4-oxadiazole

  • Molecular FormulaC15H10BrClN2OS
  • Average mass381.675 Da
  • Monoisotopic mass379.938568 Da
  • ChemSpider ID21663475

More details:

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

1,3,4-Oxadiazole, 2-(4-bromophenyl)-5-[[(3-chlorophenyl)methyl]thio]- [ACD/Index Name]
2-(4-Bromophenyl)-5-[(3-chlorobenzyl)sulfanyl]-1,3,4-oxadiazole [ACD/IUPAC Name]
2-(4-Bromophényl)-5-[(3-chlorobenzyl)sulfanyl]-1,3,4-oxadiazole [French] [ACD/IUPAC Name]
2-(4-Bromphenyl)-5-[(3-chlorbenzyl)sulfanyl]-1,3,4-oxadiazol [German] [ACD/IUPAC Name]
2-(4-bromophenyl)-5-{[(3-chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazole

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

Density: 1.6±0.1 g/cm3
Boiling Point: 496.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 253.8±31.5 °C
Index of Refraction: 1.697
Molar Refractivity: 89.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7515.63
ACD/KOC (pH 5.5): 20701.75
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7515.63
ACD/KOC (pH 7.4): 20701.75
Polar Surface Area: 64 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 232.1±5.0 cm3

Click to predict properties on the Chemicalize site


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