ChemSpider 2D Image | 2-[(4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-1H-isoindole-1,3(2H)-dione | C11H9N5O2S

2-[(4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC11H9N5O2S
  • Average mass275.286 Da
  • Monoisotopic mass275.047699 Da
  • ChemSpider ID21119219

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[(4-amino-4,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]- [ACD/Index Name]
2-[(4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[(4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-[(4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)méthyl]-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 542.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 281.9±30.7 °C
Index of Refraction: 1.871
Molar Refractivity: 70.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.35
ACD/LogD (pH 7.4): -1.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 83.8±7.0 dyne/cm
Molar Volume: 155.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement