ChemSpider 2D Image | 6-(Methoxymethyl)-1,4-dihydro-1,2,4,5-tetrazine-3(2H)-thione | C4H8N4OS

6-(Methoxymethyl)-1,4-dihydro-1,2,4,5-tetrazine-3(2H)-thione

  • Molecular FormulaC4H8N4OS
  • Average mass160.197 Da
  • Monoisotopic mass160.041885 Da
  • ChemSpider ID27455625

More details:

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

1,2,4,5-Tetrazine-3(2H)-thione, 1,4-dihydro-6-(methoxymethyl)- [ACD/Index Name]
6-(Methoxymethyl)-1,4-dihydro-1,2,4,5-tetrazin-3(2H)-thion [German] [ACD/IUPAC Name]
6-(Methoxymethyl)-1,4-dihydro-1,2,4,5-tetrazine-3(2H)-thione [ACD/IUPAC Name]
6-(Méthoxyméthyl)-1,4-dihydro-1,2,4,5-tétrazine-3(2H)-thione [French] [ACD/IUPAC Name]
1,2,4,5-tetrazine-3-thiol, 1,4-dihydro-6-(methoxymethyl)-
1211486-85-9 [RN]
6-(methoxymethyl)-1,4-dihydro-1,2,4,5-tetrazine-3-thiol
MFCD15203944

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

Density: 1.6±0.1 g/cm3
Boiling Point: 206.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.3±3.0 kJ/mol
Flash Point: 78.9±27.9 °C
Index of Refraction: 1.699
Molar Refractivity: 39.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.87
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.45
ACD/LogD (pH 7.4): -0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.31
Polar Surface Area: 97 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 101.4±7.0 cm3

Click to predict properties on the Chemicalize site


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