ChemSpider 2D Image | Methyl 5-{[(ethoxycarbonyl)carbamothioyl]amino}-1H-pyrazole-3-carboxylate | C9H12N4O4S

Methyl 5-{[(ethoxycarbonyl)carbamothioyl]amino}-1H-pyrazole-3-carboxylate

  • Molecular FormulaC9H12N4O4S
  • Average mass272.281 Da
  • Monoisotopic mass272.057922 Da
  • ChemSpider ID24742327

More details:

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

1H-Pyrazole-3-carboxylic acid, 5-[[[(ethoxycarbonyl)amino]thioxomethyl]amino]-, methyl ester [ACD/Index Name]
5-{[(Éthoxycarbonyl)carbamothioyl]amino}-1H-pyrazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-{[(ethoxycarbonyl)carbamothioyl]amino}-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Methyl-5-{[(ethoxycarbonyl)carbamothioyl]amino}-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 66.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.98
ACD/KOC (pH 5.5): 55.93
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.00
Polar Surface Area: 137 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 74.2±3.0 dyne/cm
Molar Volume: 185.1±3.0 cm3

Click to predict properties on the Chemicalize site


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