ChemSpider 2D Image | 2-Bromo-7-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one | C11H6BrN3OS

2-Bromo-7-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

  • Molecular FormulaC11H6BrN3OS
  • Average mass308.154 Da
  • Monoisotopic mass306.941498 Da
  • ChemSpider ID25995458

More details:

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

2-Brom-7-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-on [German] [ACD/IUPAC Name]
2-Bromo-7-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one [ACD/IUPAC Name]
2-Bromo-7-phényl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one [French] [ACD/IUPAC Name]
5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one, 2-bromo-7-phenyl- [ACD/Index Name]
1209107-53-8 [RN]
2-bromo-5-phenyl-7H-pyrimido[2,1-b][1,3,4]thiadiazol-7-one
2-Bromo-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
MFCD13195829 [MDL number]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 426.7±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: 211.9±29.6 °C
Index of Refraction: 1.796
Molar Refractivity: 71.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 24.07
ACD/KOC (pH 5.5): 339.21
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 24.07
ACD/KOC (pH 7.4): 339.21
Polar Surface Area: 70 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 69.4±7.0 dyne/cm
Molar Volume: 168.8±7.0 cm3

Click to predict properties on the Chemicalize site


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