ChemSpider 2D Image | 3-{[(Cyanomethyl)sulfonyl]amino}-1H-pyrazole-5-carboxylic acid | C6H6N4O4S

3-{[(Cyanomethyl)sulfonyl]amino}-1H-pyrazole-5-carboxylic acid

  • Molecular FormulaC6H6N4O4S
  • Average mass230.201 Da
  • Monoisotopic mass230.010971 Da
  • ChemSpider ID48896346

More details:






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

1H-Pyrazole-5-carboxylic acid, 3-[[(cyanomethyl)sulfonyl]amino]- [ACD/Index Name]
3-{[(Cyanmethyl)sulfonyl]amino}-1H-pyrazol-5-carbonsäure [German] [ACD/IUPAC Name]
3-{[(Cyanomethyl)sulfonyl]amino}-1H-pyrazole-5-carboxylic acid [ACD/IUPAC Name]
Acide 3-{[(cyanométhyl)sulfonyl]amino}-1H-pyrazole-5-carboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 636.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 339.0±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 46.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.65
ACD/LogD (pH 5.5): -2.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 123.9±3.0 dyne/cm
Molar Volume: 123.9±3.0 cm3

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