ChemSpider 2D Image | 1H-Pyrazolo[3,4-d][1,3]thiazole | C4H3N3S

1H-Pyrazolo[3,4-d][1,3]thiazole

  • Molecular FormulaC4H3N3S
  • Average mass125.152 Da
  • Monoisotopic mass125.004768 Da
  • ChemSpider ID38775543

More details:

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

1H-Pyrazolo[3,4-d][1,3]thiazol [German] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d][1,3]thiazole [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d][1,3]thiazole [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d]thiazole [ACD/Index Name]
7489-62-5 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 298.3±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.7±3.0 kJ/mol
Flash Point: 144.8±10.2 °C
Index of Refraction: 1.795
Molar Refractivity: 33.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.38
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.67
ACD/KOC (pH 5.5): 50.26
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 49.85
Polar Surface Area: 70 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 93.9±3.0 dyne/cm
Molar Volume: 77.8±3.0 cm3

Click to predict properties on the Chemicalize site


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