ChemSpider 2D Image | 3-(1-{2-[(4-Ethyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-1H-1,2,3-triazol-4-yl)piperidine | C14H23N7S

3-(1-{2-[(4-Ethyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-1H-1,2,3-triazol-4-yl)piperidine

  • Molecular FormulaC14H23N7S
  • Average mass321.444 Da
  • Monoisotopic mass321.173553 Da
  • ChemSpider ID29499725

More details:






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

3-(1-{2-[(4-Ethyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-1H-1,2,3-triazol-4-yl)piperidin [German] [ACD/IUPAC Name]
3-(1-{2-[(4-Ethyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-1H-1,2,3-triazol-4-yl)piperidine [ACD/IUPAC Name]
3-(1-{2-[(4-Éthyl-5-méthyl-4H-1,2,4-triazol-3-yl)sulfanyl]éthyl}-1H-1,2,3-triazol-4-yl)pipéridine [French] [ACD/IUPAC Name]
Piperidine, 3-[1-[2-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)thio]ethyl]-1H-1,2,3-triazol-4-yl]- [ACD/Index Name]
3-(1-{2-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)thio]ethyl}-1H-1,2,3-triazol-4-yl)piperidine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 563.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.7±32.9 °C
Index of Refraction: 1.710
Molar Refractivity: 90.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): -1.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.17
Polar Surface Area: 99 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 230.4±7.0 cm3

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