Found 10 results

Search term: MF = 'C_{18}H_{16}N_{8}S_{2}'
ChemSpider 2D Image | 2,2'-[(4-Amino-4H-1,2,4-triazole-3,5-diyl)bis(methylenesulfanediyl)]bis(6-methylnicotinonitrile) | C18H16N8S2

2,2'-[(4-Amino-4H-1,2,4-triazole-3,5-diyl)bis(methylenesulfanediyl)]bis(6-methylnicotinonitrile)

  • Molecular FormulaC18H16N8S2
  • Average mass408.503 Da
  • Monoisotopic mass408.093933 Da
  • ChemSpider ID62441110

More details:

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

2,2'-[(4-Amino-4H-1,2,4-triazol-3,5-diyl)bis(methylensulfandiyl)]bis(6-methylnicotinonitril) [German] [ACD/IUPAC Name]
2,2'-[(4-Amino-4H-1,2,4-triazole-3,5-diyl)bis(methylenesulfanediyl)]bis(6-methylnicotinonitrile) [ACD/IUPAC Name]
2,2'-[(4-Amino-4H-1,2,4-triazole-3,5-diyl)bis(méthylènesulfanediyl)]bis(6-méthylnicotinonitrile) [French] [ACD/IUPAC Name]
3-Pyridinecarbonitrile, 2,2'-[(4-amino-4H-1,2,4-triazole-3,5-diyl)bis(methylenethio)]bis[6-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 692.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.7±34.3 °C
Index of Refraction: 1.744
Molar Refractivity: 115.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 15.97
ACD/KOC (pH 5.5): 252.88
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 15.97
ACD/KOC (pH 7.4): 252.91
Polar Surface Area: 181 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 64.1±7.0 dyne/cm
Molar Volume: 283.9±7.0 cm3

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