ChemSpider 2D Image | N-[2-(1H-1,2,4-Triazol-1-yl)ethyl]-1,4-dithiepan-6-amine | C9H16N4S2

N-[2-(1H-1,2,4-Triazol-1-yl)ethyl]-1,4-dithiepan-6-amine

  • Molecular FormulaC9H16N4S2
  • Average mass244.380 Da
  • Monoisotopic mass244.081635 Da
  • ChemSpider ID58200797

More details:

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

1H-1,2,4-Triazole-1-ethanamine, N-1,4-dithiepan-6-yl- [ACD/Index Name]
N-[2-(1H-1,2,4-Triazol-1-yl)ethyl]-1,4-dithiepan-6-amin [German] [ACD/IUPAC Name]
N-[2-(1H-1,2,4-Triazol-1-yl)ethyl]-1,4-dithiepan-6-amine [ACD/IUPAC Name]
N-[2-(1H-1,2,4-Triazol-1-yl)éthyl]-1,4-dithiépan-6-amine [French] [ACD/IUPAC Name]
1,4-dithiepan-6-yl[2-(1H-1,2,4-triazol-1-yl)ethyl]amine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 464.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 234.8±31.5 °C
Index of Refraction: 1.703
Molar Refractivity: 67.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.15
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.70
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 39.33
Polar Surface Area: 93 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 174.4±7.0 cm3

Click to predict properties on the Chemicalize site


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