ChemSpider 2D Image | 3-(4-Methylphenyl)-5-[(2-nitrophenyl)disulfanyl]-1H-1,2,4-triazole | C15H12N4O2S2

3-(4-Methylphenyl)-5-[(2-nitrophenyl)disulfanyl]-1H-1,2,4-triazole

  • Molecular FormulaC15H12N4O2S2
  • Average mass344.411 Da
  • Monoisotopic mass344.040161 Da
  • ChemSpider ID31120482

More details:

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

1H-1,2,4-Triazole, 5-(4-methylphenyl)-3-[(2-nitrophenyl)dithio]- [ACD/Index Name]
3-(4-Methylphenyl)-5-[(2-nitrophenyl)disulfanyl]-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-(4-Methylphenyl)-5-[(2-nitrophenyl)disulfanyl]-1H-1,2,4-triazole [ACD/IUPAC Name]
3-(4-Méthylphényl)-5-[(2-nitrophényl)disulfanyl]-1H-1,2,4-triazole [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: 584.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.4±32.9 °C
Index of Refraction: 1.734
Molar Refractivity: 92.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1398.94
ACD/KOC (pH 5.5): 6212.10
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1298.86
ACD/KOC (pH 7.4): 5767.67
Polar Surface Area: 138 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 86.0±5.0 dyne/cm
Molar Volume: 230.5±5.0 cm3

Click to predict properties on the Chemicalize site


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