ChemSpider 2D Image | 1-(4-Thiopentofuranosyl)-1H-1,2,4-triazole-3-carboxamide | C8H12N4O4S

1-(4-Thiopentofuranosyl)-1H-1,2,4-triazole-3-carboxamide

  • Molecular FormulaC8H12N4O4S
  • Average mass260.270 Da
  • Monoisotopic mass260.057922 Da
  • ChemSpider ID57456903

More details:

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

1-(4-Thiopentofuranosyl)-1H-1,2,4-triazol-3-carboxamid [German] [ACD/IUPAC Name]
1-(4-Thiopentofuranosyl)-1H-1,2,4-triazole-3-carboxamide [ACD/IUPAC Name]
1-(4-Thiopentofuranosyl)-1H-1,2,4-triazole-3-carboxamide [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carboxamide, 1-(4-thiopentofuranosyl)- [ACD/Index Name]
1-(4-THIO-SS-D-RIBOFURANOSYL)-1,2,4-TRIAZOLE-3-CARBOXAMIDE

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

Density: 2.1±0.1 g/cm3
Boiling Point: 619.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 328.5±34.3 °C
Index of Refraction: 1.885
Molar Refractivity: 57.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.33
ACD/LogD (pH 5.5): -1.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.47
ACD/LogD (pH 7.4): -1.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.47
Polar Surface Area: 160 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 111.7±7.0 dyne/cm
Molar Volume: 125.1±7.0 cm3

Click to predict properties on the Chemicalize site


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