ChemSpider 2D Image | 1,4-Dihydro-1,2,4,5-tetrazine-3(2H)-thione | C2H4N4S

1,4-Dihydro-1,2,4,5-tetrazine-3(2H)-thione

  • Molecular FormulaC2H4N4S
  • Average mass116.145 Da
  • Monoisotopic mass116.015663 Da
  • ChemSpider ID27455639

More details:

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

1,2,4,5-Tetrazine-3(2H)-thione, 1,4-dihydro- [ACD/Index Name]
1,4-Dihydro-1,2,4,5-tetrazin-3(2H)-thion [German] [ACD/IUPAC Name]
1,4-Dihydro-1,2,4,5-tetrazine-3(2H)-thione [ACD/IUPAC Name]
1,4-Dihydro-1,2,4,5-tétrazine-3(2H)-thione [French] [ACD/IUPAC Name]
1,4-dihydro-1,2,4,5-tetrazine-3-thiol
1211453-71-2 [RN]
MFCD15731828

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

Density: 1.8±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: 1.870
Molar Refractivity: 28.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.60
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.40
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.08
Polar Surface Area: 88 Å2
Polarizability: 11.4±0.5 10-24cm3
Surface Tension: 72.5±7.0 dyne/cm
Molar Volume: 63.3±7.0 cm3

Click to predict properties on the Chemicalize site


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