ChemSpider 2D Image | 4-amino-5-(oxan-2-yl)-4H-1,2,4-triazole-3-thiol | C7H12N4OS

4-amino-5-(oxan-2-yl)-4H-1,2,4-triazole-3-thiol

  • Molecular FormulaC7H12N4OS
  • Average mass200.261 Da
  • Monoisotopic mass200.073181 Da
  • ChemSpider ID28546496

More details:

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

1250977-49-1 [RN]
3H-1,2,4-Triazole-3-thione, 4-amino-2,4-dihydro-5-(tetrahydro-2H-pyran-2-yl)- [ACD/Index Name]
4-amino-5-(oxan-2-yl)-4H-1,2,4-triazole-3-thiol
4-Amino-5-(tetrahydro-2H-pyran-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-Amino-5-(tetrahydro-2H-pyran-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-Amino-5-(tétrahydro-2H-pyran-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
4-amino-3-(oxan-2-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
MFCD16693636

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

Density: 1.7±0.1 g/cm3
Boiling Point: 428.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 212.8±31.5 °C
Index of Refraction: 1.778
Molar Refractivity: 50.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.86
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 66.5±7.0 dyne/cm
Molar Volume: 120.4±7.0 cm3

Click to predict properties on the Chemicalize site


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