ChemSpider 2D Image | 6-sec-Butyl-1,4-dihydro-1,2,4,5-tetrazine-3(2H)-thione | C6H12N4S

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

  • Molecular FormulaC6H12N4S
  • Average mass172.251 Da
  • Monoisotopic mass172.078262 Da
  • ChemSpider ID27455622

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-(1-methylpropyl)- [ACD/Index Name]
6-sec-Butyl-1,4-dihydro-1,2,4,5-tetrazin-3(2H)-thion [German] [ACD/IUPAC Name]
6-sec-Butyl-1,4-dihydro-1,2,4,5-tetrazine-3(2H)-thione [ACD/IUPAC Name]
6-sec-Butyl-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-(1-methylpropyl)-
1211461-50-5 [RN]
6-sec-butyl-1,4-dihydro-1,2,4,5-tetrazine-3-thiol
MFCD15203941

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

Density: 1.4±0.1 g/cm3
Boiling Point: 224.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.1±3.0 kJ/mol
Flash Point: 89.5±22.6 °C
Index of Refraction: 1.663
Molar Refractivity: 46.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.89
ACD/KOC (pH 5.5): 74.11
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.86
ACD/KOC (pH 7.4): 73.21
Polar Surface Area: 88 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 126.3±7.0 cm3

Click to predict properties on the Chemicalize site


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