ChemSpider 2D Image | 2,7-Diamino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one | C5H5N5OS

2,7-Diamino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

  • Molecular FormulaC5H5N5OS
  • Average mass183.191 Da
  • Monoisotopic mass183.021484 Da
  • ChemSpider ID44472989

More details:

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

2,7-Diamino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-on [German] [ACD/IUPAC Name]
2,7-Diamino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one [ACD/IUPAC Name]
2,7-Diamino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one [French] [ACD/IUPAC Name]
5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one, 2,7-diamino- [ACD/Index Name]
1343271-37-3 [RN]
MFCD20296231

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

Density: 2.2±0.1 g/cm3
Boiling Point: 362.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.8±3.0 kJ/mol
Flash Point: 173.0±28.7 °C
Index of Refraction: 2.086
Molar Refractivity: 43.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -2.15
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.36
ACD/LogD (pH 7.4): -1.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.36
Polar Surface Area: 122 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 140.9±7.0 dyne/cm
Molar Volume: 81.5±7.0 cm3

Click to predict properties on the Chemicalize site


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