ChemSpider 2D Image | 1,2,3,4-Tetrazinane-5-thione | C2H6N4S

1,2,3,4-Tetrazinane-5-thione

  • Molecular FormulaC2H6N4S
  • Average mass118.161 Da
  • Monoisotopic mass118.031319 Da
  • ChemSpider ID67153911

More details:

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

1,2,3,4-Tetrazinan-5-thion [German] [ACD/IUPAC Name]
1,2,3,4-Tetrazinane-5-thione [ACD/IUPAC Name]
1,2,3,4-Tétrazinane-5-thione [French] [ACD/IUPAC Name]
1,2,3,4-Tetrazine-5(2H)-thione, tetrahydro- [ACD/Index Name]
hexahydrothioxotetrazine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 162.0±23.0 °C at 760 mmHg
Vapour Pressure: 2.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.9±3.0 kJ/mol
Flash Point: 51.8±22.6 °C
Index of Refraction: 1.708
Molar Refractivity: 31.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.52
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.05
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.95
Polar Surface Area: 80 Å2
Polarizability: 12.3±0.5 10-24cm3
Surface Tension: 83.5±5.0 dyne/cm
Molar Volume: 79.4±5.0 cm3

Click to predict properties on the Chemicalize site


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