ChemSpider 2D Image | 2-Phenyl-5-[(1H-1,2,3-triazol-5-ylsulfanyl)methyl]-1,3,4-thiadiazole | C11H9N5S2

2-Phenyl-5-[(1H-1,2,3-triazol-5-ylsulfanyl)methyl]-1,3,4-thiadiazole

  • Molecular FormulaC11H9N5S2
  • Average mass275.353 Da
  • Monoisotopic mass275.029938 Da
  • ChemSpider ID35236269

More details:

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

1,3,4-Thiadiazole, 2-phenyl-5-[(1H-1,2,3-triazol-5-ylthio)methyl]- [ACD/Index Name]
2-Phenyl-5-[(1H-1,2,3-triazol-5-ylsulfanyl)methyl]-1,3,4-thiadiazol [German] [ACD/IUPAC Name]
2-Phenyl-5-[(1H-1,2,3-triazol-5-ylsulfanyl)methyl]-1,3,4-thiadiazole [ACD/IUPAC Name]
2-Phényl-5-[(1H-1,2,3-triazol-5-ylsulfanyl)méthyl]-1,3,4-thiadiazole [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: 529.8±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 274.2±31.8 °C
Index of Refraction: 1.724
Molar Refractivity: 72.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 33.99
ACD/KOC (pH 5.5): 433.53
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 23.38
ACD/KOC (pH 7.4): 298.16
Polar Surface Area: 121 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 97.1±5.0 dyne/cm
Molar Volume: 181.7±5.0 cm3

Click to predict properties on the Chemicalize site


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