ChemSpider 2D Image | 4-{[(3-Fluorophenyl)sulfonyl]methyl}-5-methyl-2-thiophenecarboxylic acid | C13H11FO4S2

4-{[(3-Fluorophenyl)sulfonyl]methyl}-5-methyl-2-thiophenecarboxylic acid

  • Molecular FormulaC13H11FO4S2
  • Average mass314.352 Da
  • Monoisotopic mass314.008270 Da
  • ChemSpider ID36357109

More details:

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

2-Thiophenecarboxylic acid, 4-[[(3-fluorophenyl)sulfonyl]methyl]-5-methyl- [ACD/Index Name]
4-{[(3-Fluorophenyl)sulfonyl]methyl}-5-methyl-2-thiophenecarboxylic acid [ACD/IUPAC Name]
4-{[(3-Fluorphenyl)sulfonyl]methyl}-5-methyl-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
Acide 4-{[(3-fluorophényl)sulfonyl]méthyl}-5-méthyl-2-thiophènecarboxylique [French] [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: 562.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 293.8±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 74.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.67
ACD/KOC (pH 5.5): 14.63
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 214.4±3.0 cm3

Click to predict properties on the Chemicalize site


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