ChemSpider 2D Image | 4-Amino-3-thioxo-1,2,4-triazinane-5,6-dione | C3H4N4O2S

4-Amino-3-thioxo-1,2,4-triazinane-5,6-dione

  • Molecular FormulaC3H4N4O2S
  • Average mass160.154 Da
  • Monoisotopic mass160.005493 Da
  • ChemSpider ID23368313

More details:

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

1,2,4-triazin-5(4H)-one, 4-amino-6-hydroxy-3-mercapto-
1,2,4-Triazine-5,6-dione, 4-aminotetrahydro-3-thioxo- [ACD/Index Name]
4-Amino-3-thioxo-1,2,4-triazinan-5,6-dion [German] [ACD/IUPAC Name]
4-Amino-3-thioxo-1,2,4-triazinane-5,6-dione [ACD/IUPAC Name]
4-Amino-3-thioxo-1,2,4-triazinane-5,6-dione [French] [ACD/IUPAC Name]
4-Amino-6-hydroxy-3-sulfanyl-1,2,4-triazin-5(4H)-one
4-amino-6-hydroxy-3-mercapto-1,2,4-triazin-5(4H)-one

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

Density: 2.2±0.1 g/cm3
Boiling Point: 336.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 67.1±6.0 kJ/mol
Flash Point: 157.0±23.2 °C
Index of Refraction: 1.944
Molar Refractivity: 34.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.89
ACD/LogD (pH 5.5): -1.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.36
ACD/LogD (pH 7.4): -3.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 113.4±7.0 dyne/cm
Molar Volume: 72.4±7.0 cm3

Click to predict properties on the Chemicalize site


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