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Search term: CARZZYHQSCIFHG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ethyl 1-(1,1-dioxidotetrahydro-3-thiophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate | C10H14N2O5S

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

  • Molecular FormulaC10H14N2O5S
  • Average mass274.294 Da
  • Monoisotopic mass274.062347 Da
  • ChemSpider ID21161451

More details:

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

1-(1,1-Dioxydotétrahydro-3-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-3-thienyl)-, ethyl ester [ACD/Index Name]
257-577-9 [EINECS]
51986-04-0 [RN]
Ethyl 1-(1,1-dioxidotetrahydro-3-thiophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-1-(1,1-dioxidotetrahydro-3-thiophenyl)-5-hydroxy-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
3-ethoxycarbonyl-5-hydroxy-1-sulfolanylpyrazole
ethyl 1-(1,1-dioxothiolan-3-yl)-5-hydroxypyrazole-3-carboxylate
ethyl 5-hydroxy-1-(tetrahydro-3-thienyl)-1H-pyrazole-3-carboxylate S,S-dioxide

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

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: -0.27
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.34
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.87
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


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