ChemSpider 2D Image | 3-(5-Amino-1,3,4-thiadiazol-2-yl)-1-(2-thienyl)-1-propanone | C9H9N3OS2

3-(5-Amino-1,3,4-thiadiazol-2-yl)-1-(2-thienyl)-1-propanone

  • Molecular FormulaC9H9N3OS2
  • Average mass239.317 Da
  • Monoisotopic mass239.018707 Da
  • ChemSpider ID26391475

More details:

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

1-Propanone, 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-(2-thienyl)- [ACD/Index Name]
3-(5-Amino-1,3,4-thiadiazol-2-yl)-1-(2-thienyl)-1-propanon [German] [ACD/IUPAC Name]
3-(5-Amino-1,3,4-thiadiazol-2-yl)-1-(2-thienyl)-1-propanone [ACD/IUPAC Name]
3-(5-Amino-1,3,4-thiadiazol-2-yl)-1-(2-thiényl)-1-propanone [French] [ACD/IUPAC Name]
3-(5-Amino-1,3,4-Thiadiazol-2-Yl)-1-Thiophen-2-Ylpropan-1-One
WHF

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

Density: 1.4±0.1 g/cm3
Boiling Point: 485.4±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 247.4±30.4 °C
Index of Refraction: 1.679
Molar Refractivity: 62.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.55
ACD/KOC (pH 5.5): 118.39
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.62
ACD/KOC (pH 7.4): 119.71
Polar Surface Area: 125 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 73.0±3.0 dyne/cm
Molar Volume: 165.9±3.0 cm3

Click to predict properties on the Chemicalize site


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