Found 18 results

Search term: MF = 'C_{9}H_{6}BrN_{3}OS_{2}'
ChemSpider 2D Image | ({[3-(5-Bromo-2-thienyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)acetonitrile | C9H6BrN3OS2

({[3-(5-Bromo-2-thienyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)acetonitrile

  • Molecular FormulaC9H6BrN3OS2
  • Average mass316.197 Da
  • Monoisotopic mass314.913544 Da
  • ChemSpider ID50093413

More details:

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

({[3-(5-Brom-2-thienyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)acetonitril [German] [ACD/IUPAC Name]
({[3-(5-Bromo-2-thienyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)acetonitrile [ACD/IUPAC Name]
({[3-(5-Bromo-2-thiényl)-1,2,4-oxadiazol-5-yl]méthyl}sulfanyl)acétonitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-[[[3-(5-bromo-2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]thio]- [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: 469.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 237.5±31.5 °C
Index of Refraction: 1.644
Molar Refractivity: 67.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.81
ACD/KOC (pH 5.5): 884.39
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 91.81
ACD/KOC (pH 7.4): 884.39
Polar Surface Area: 116 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 186.3±3.0 cm3

Click to predict properties on the Chemicalize site


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