Found 90 results

Search term: MF = 'C_{9}H_{9}NO_{5}S_{2}'
ChemSpider 2D Image | Ethyl 4-cyano-3-hydroxy-5-(methylsulfonyl)-2-thiophenecarboxylate | C9H9NO5S2

Ethyl 4-cyano-3-hydroxy-5-(methylsulfonyl)-2-thiophenecarboxylate

  • Molecular FormulaC9H9NO5S2
  • Average mass275.302 Da
  • Monoisotopic mass274.992218 Da
  • ChemSpider ID24540438

More details:

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

2-Thiophenecarboxylic acid, 4-cyano-3-hydroxy-5-(methylsulfonyl)-, ethyl ester [ACD/Index Name]
4-Cyano-3-hydroxy-5-(méthylsulfonyl)-2-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-cyano-3-hydroxy-5-(methylsulfonyl)-2-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-4-cyan-3-hydroxy-5-(methylsulfonyl)-2-thiophencarboxylat [German] [ACD/IUPAC Name]
ethyl 4-cyano-3-hydroxy-5-(methylsulfonyl)thiophene-2-carboxylate
ETHYL-4-CYANO-3-HYDROXY-5-(METHYLSULFONYL)THIOPHENE-2-CARBOXYLATE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 528.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 273.1±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 60.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.40
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 3.37
ACD/KOC (pH 5.5): 65.67
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.56
Polar Surface Area: 141 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 175.4±5.0 cm3

Click to predict properties on the Chemicalize site


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