Found 76 results

Search term: MF = 'C_{16}H_{15}BrN_{2}OS_{2}'
ChemSpider 2D Image | 2-{[(4-Bromophenyl)sulfanyl]methyl}-5-(5-ethyl-4-methyl-2-thienyl)-1,3,4-oxadiazole | C16H15BrN2OS2

2-{[(4-Bromophenyl)sulfanyl]methyl}-5-(5-ethyl-4-methyl-2-thienyl)-1,3,4-oxadiazole

  • Molecular FormulaC16H15BrN2OS2
  • Average mass395.337 Da
  • Monoisotopic mass393.980896 Da
  • ChemSpider ID29389050

More details:

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

1,3,4-Oxadiazole, 2-[[(4-bromophenyl)thio]methyl]-5-(5-ethyl-4-methyl-2-thienyl)- [ACD/Index Name]
2-{[(4-Bromophenyl)sulfanyl]methyl}-5-(5-ethyl-4-methyl-2-thienyl)-1,3,4-oxadiazole [ACD/IUPAC Name]
2-{[(4-Bromophényl)sulfanyl]méthyl}-5-(5-éthyl-4-méthyl-2-thiényl)-1,3,4-oxadiazole [French] [ACD/IUPAC Name]
2-{[(4-Bromphenyl)sulfanyl]methyl}-5-(5-ethyl-4-methyl-2-thienyl)-1,3,4-oxadiazol [German] [ACD/IUPAC Name]
2-{[(4-bromophenyl)sulfanyl]methyl}-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole

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

Density: 1.5±0.1 g/cm3
Boiling Point: 517.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 266.9±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 96.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1872.62
ACD/KOC (pH 5.5): 7656.25
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1872.62
ACD/KOC (pH 7.4): 7656.25
Polar Surface Area: 92 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 259.2±5.0 cm3

Click to predict properties on the Chemicalize site


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