ChemSpider 2D Image | 1-(4H-1,2,4-Triazol-3-yl)ethyl diethylcarbamodithioate | C9H16N4S2

1-(4H-1,2,4-Triazol-3-yl)ethyl diethylcarbamodithioate

  • Molecular FormulaC9H16N4S2
  • Average mass244.380 Da
  • Monoisotopic mass244.081635 Da
  • ChemSpider ID67943572

More details:

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

1-(4H-1,2,4-Triazol-3-yl)ethyl diethylcarbamodithioate [ACD/IUPAC Name]
1-(4H-1,2,4-Triazol-3-yl)ethyl-diethylcarbamodithioat [German] [ACD/IUPAC Name]
Carbamodithioic acid, N,N-diethyl-, 1-(4H-1,2,4-triazol-3-yl)ethyl ester [ACD/Index Name]
Diéthylcarbamodithioate de 1-(4H-1,2,4-triazol-3-yl)éthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 386.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.6±3.0 kJ/mol
Flash Point: 187.8±30.7 °C
Index of Refraction: 1.615
Molar Refractivity: 68.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.09
ACD/KOC (pH 5.5): 155.37
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 7.99
ACD/KOC (pH 7.4): 153.54
Polar Surface Area: 102 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 196.5±3.0 cm3

Click to predict properties on the Chemicalize site


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