ChemSpider 2D Image | 3-(5-Bromo-1,3,4-thiadiazol-2-yl)propanoic acid | C5H5BrN2O2S

3-(5-Bromo-1,3,4-thiadiazol-2-yl)propanoic acid

  • Molecular FormulaC5H5BrN2O2S
  • Average mass237.074 Da
  • Monoisotopic mass235.925507 Da
  • ChemSpider ID45726934

More details:

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

1,3,4-Thiadiazole-2-propanoic acid, 5-bromo- [ACD/Index Name]
3-(5-Brom-1,3,4-thiadiazol-2-yl)propansäure [German] [ACD/IUPAC Name]
3-(5-Bromo-1,3,4-thiadiazol-2-yl)propanoic acid [ACD/IUPAC Name]
Acide 3-(5-bromo-1,3,4-thiadiazol-2-yl)propanoïque [French] [ACD/IUPAC Name]
933716-49-5 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 417.5±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 206.3±29.3 °C
Index of Refraction: 1.623
Molar Refractivity: 44.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.45
ACD/LogD (pH 7.4): -2.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 91 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 73.5±3.0 dyne/cm
Molar Volume: 125.5±3.0 cm3

Click to predict properties on the Chemicalize site


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