ChemSpider 2D Image | 5-Hydroxy-3-(methylsulfanyl)-1H-pyrazole-4-carbonitrile | C5H5N3OS

5-Hydroxy-3-(methylsulfanyl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC5H5N3OS
  • Average mass155.178 Da
  • Monoisotopic mass155.015335 Da
  • ChemSpider ID21122465

More details:

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

1H-Pyrazole-4-carbonitrile, 5-hydroxy-3-(methylthio)- [ACD/Index Name]
5-Hydroxy-3-(methylsulfanyl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Hydroxy-3-(methylsulfanyl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
5-Hydroxy-3-(méthylsulfanyl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
5-(methylthio)-3-oxo-2,3-dihydro-1H-pyrazole-4-carbonitrile
59541-47-8 [RN]
5-Hydroxy-3-(methylthio)-1H-pyrazole-4-carbonitrile

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

Density: 1.6±0.1 g/cm3
Boiling Point: 461.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 233.0±28.7 °C
Index of Refraction: 1.667
Molar Refractivity: 37.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.94
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 99.8±5.0 dyne/cm
Molar Volume: 99.9±5.0 cm3

Click to predict properties on the Chemicalize site


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