Found 53 results

Search term: MF = 'C_{22}H_{16}N_{2}O_{6}S_{2}'
ChemSpider 2D Image | Methyl 3-({2-[(1-phenyl-1H-pyrazol-4-yl)carbonyl]phenoxy}sulfonyl)-2-thiophenecarboxylate | C22H16N2O6S2

Methyl 3-({2-[(1-phenyl-1H-pyrazol-4-yl)carbonyl]phenoxy}sulfonyl)-2-thiophenecarboxylate

  • Molecular FormulaC22H16N2O6S2
  • Average mass468.502 Da
  • Monoisotopic mass468.044983 Da
  • ChemSpider ID30606381

More details:

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

2-Thiophenecarboxylic acid, 3-[[2-[(1-phenyl-1H-pyrazol-4-yl)carbonyl]phenoxy]sulfonyl]-, methyl ester [ACD/Index Name]
3-({2-[(1-Phényl-1H-pyrazol-4-yl)carbonyl]phénoxy}sulfonyl)-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-({2-[(1-phenyl-1H-pyrazol-4-yl)carbonyl]phenoxy}sulfonyl)-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-({2-[(1-phenyl-1H-pyrazol-4-yl)carbonyl]phenoxy}sulfonyl)-2-thiophencarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 684.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.6±31.5 °C
Index of Refraction: 1.667
Molar Refractivity: 122.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 317.14
ACD/KOC (pH 5.5): 2147.85
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 317.14
ACD/KOC (pH 7.4): 2147.85
Polar Surface Area: 141 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 58.6±7.0 dyne/cm
Molar Volume: 329.4±7.0 cm3

Click to predict properties on the Chemicalize site


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