ChemSpider 2D Image | 3-Phenyl-5-({3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propyl}sulfanyl)-1,3,4-thiadiazole-2(3H)-thione | C17H14N4OS4

3-Phenyl-5-({3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propyl}sulfanyl)-1,3,4-thiadiazole-2(3H)-thione

  • Molecular FormulaC17H14N4OS4
  • Average mass418.579 Da
  • Monoisotopic mass418.005035 Da
  • ChemSpider ID78518584

More details:

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

1,3,4-Thiadiazole-2(3H)-thione, 3-phenyl-5-[[3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propyl]thio]- [ACD/Index Name]
3-Phenyl-5-({3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propyl}sulfanyl)-1,3,4-thiadiazol-2(3H)-thion [German] [ACD/IUPAC Name]
3-Phenyl-5-({3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propyl}sulfanyl)-1,3,4-thiadiazole-2(3H)-thione [ACD/IUPAC Name]
3-Phényl-5-({3-[3-(2-thiényl)-1,2,4-oxadiazol-5-yl]propyl}sulfanyl)-1,3,4-thiadiazole-2(3H)-thione [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 588.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 309.9±32.9 °C
Index of Refraction: 1.782
Molar Refractivity: 116.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1064.72
ACD/KOC (pH 5.5): 5110.87
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1064.72
ACD/KOC (pH 7.4): 5110.87
Polar Surface Area: 165 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 64.5±7.0 dyne/cm
Molar Volume: 275.8±7.0 cm3

Click to predict properties on the Chemicalize site


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