ChemSpider 2D Image | 5,5',5''-[Benzene-1,3,5-triyltris(methylenesulfanediyl)]tris(1-phenyl-1H-tetrazole) | C30H24N12S3

5,5',5''-[Benzene-1,3,5-triyltris(methylenesulfanediyl)]tris(1-phenyl-1H-tetrazole)

  • Molecular FormulaC30H24N12S3
  • Average mass648.787 Da
  • Monoisotopic mass648.140869 Da
  • ChemSpider ID21126463

More details:

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

1H-Tetrazole, 5,5',5''-[benzene-1,3,5-triyltris(methylenethio)]tris[1-phenyl- [ACD/Index Name]
5,5',5''-[Benzene-1,3,5-triyltris(methylenesulfanediyl)]tris(1-phenyl-1H-tetrazole) [ACD/IUPAC Name]
5,5',5''-[Benzène-1,3,5-triyltris(méthylènesulfanediyl)]tris(1-phényl-1H-tétrazole) [French] [ACD/IUPAC Name]
5,5',5''-[Benzol-1,3,5-triyltris(methylensulfandiyl)]tris(1-phenyl-1H-tetrazol) [German] [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: 901.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.1±3.0 kJ/mol
Flash Point: 499.1±37.1 °C
Index of Refraction: 1.804
Molar Refractivity: 185.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 8.19
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 15583.20
ACD/KOC (pH 5.5): 34866.70
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 15583.49
ACD/KOC (pH 7.4): 34867.35
Polar Surface Area: 207 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 71.2±7.0 dyne/cm
Molar Volume: 433.1±7.0 cm3

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