ChemSpider 2D Image | Ethyl 1-(1,1-dioxidotetrahydro-2-thiophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate | C10H14N2O5S

Ethyl 1-(1,1-dioxidotetrahydro-2-thiophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate

  • Molecular FormulaC10H14N2O5S
  • Average mass274.294 Da
  • Monoisotopic mass274.062347 Da
  • ChemSpider ID25948507

More details:

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

1-(1,1-Dioxydotétrahydro-2-thiophényl)-5-hydroxy-1H-pyrazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-3-carboxylic acid, 5-hydroxy-1-(tetrahydro-1,1-dioxido-2-thienyl)-, ethyl ester [ACD/Index Name]
Ethyl 1-(1,1-dioxidotetrahydro-2-thiophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-1-(1,1-dioxidotetrahydro-2-thiophenyl)-5-hydroxy-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
1-boc-1h-pyrazole-5-boronic acid
ethyl 1-(1,1-dioxidotetrahydrothiophen-2-yl)-5-hydroxy-1H-pyrazole-3-carboxylate

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-37365]
    • Safety:

      20/21/22 Novochemy [NC-37365]
      20/21/36/37/39 Novochemy [NC-37365]
      GHS07; GHS09 Novochemy [NC-37365]
      H332; H403 Novochemy [NC-37365]
      P309+P311; P211; P242 Novochemy [NC-37365]
      R52/53 Novochemy [NC-37365]
      Warning Novochemy [NC-37365]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 583.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 306.8±30.1 °C
Index of Refraction: 1.653
Molar Refractivity: 63.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.39
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.69
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.64
Polar Surface Area: 107 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 64.3±7.0 dyne/cm
Molar Volume: 172.6±7.0 cm3

Click to predict properties on the Chemicalize site