ChemSpider 2D Image | 1-(5-O-Sulfamoyl-D-ribofuranosyl)-1H-1,2,4-triazole-3-carbothioamide | C8H13N5O6S2

1-(5-O-Sulfamoyl-D-ribofuranosyl)-1H-1,2,4-triazole-3-carbothioamide

  • Molecular FormulaC8H13N5O6S2
  • Average mass339.349 Da
  • Monoisotopic mass339.030731 Da
  • ChemSpider ID24677037

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1-(5-O-Sulfamoyl-D-ribofuranosyl)-1H-1,2,4-triazol-3-carbothioamid [German] [ACD/IUPAC Name]
1-(5-O-Sulfamoyl-D-ribofuranosyl)-1H-1,2,4-triazole-3-carbothioamide [ACD/IUPAC Name]
1-(5-O-Sulfamoyl-D-ribofuranosyl)-1H-1,2,4-triazole-3-carbothioamide [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carbothioamide, 1-[5-O-(aminosulfonyl)-D-ribofuranosyl]- [ACD/Index Name]
123124-29-8 [RN]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 717.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 387.6±35.7 °C
Index of Refraction: 1.861
Molar Refractivity: 69.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.42
ACD/LogD (pH 5.5): -2.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.78
ACD/LogD (pH 7.4): -2.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.75
Polar Surface Area: 216 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 110.0±7.0 dyne/cm
Molar Volume: 154.8±7.0 cm3

Click to predict properties on the Chemicalize site


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