Found 53 results

Search term: MF = 'C_{22}H_{16}N_{2}O_{6}S_{2}'
ChemSpider 2D Image | MFCD02672620 | C22H16N2O6S2

MFCD02672620

  • Molecular FormulaC22H16N2O6S2
  • Average mass468.502 Da
  • Monoisotopic mass468.044983 Da
  • ChemSpider ID22890728

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Benzoyl-3-[(5E)-5-(3-nitrobenzylidène)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acrylate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[(5E)-5-[(3-nitrophenyl)methylene]-4-oxo-2-thioxo-3-thiazolidinyl]methylene]-β-oxo-, ethyl ester, (αZ)- [ACD/Index Name]
ethyl (2Z)-2-benzoyl-3-[(5E)-5-(3-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2-propenoate
Ethyl (2Z)-2-benzoyl-3-[(5E)-5-(3-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acrylate [ACD/IUPAC Name]
Ethyl-(2Z)-2-benzoyl-3-[(5E)-5-(3-nitrobenzyliden)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acrylat [German] [ACD/IUPAC Name]
MFCD02672620
ET 2-BENZOYL-3(5(3-NITROBENZYLIDENE)4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)ACRYLATE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 619.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 328.7±34.3 °C
Index of Refraction: 1.706
Molar Refractivity: 122.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.80
ACD/KOC (pH 5.5): 1133.16
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.80
ACD/KOC (pH 7.4): 1133.16
Polar Surface Area: 167 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 78.4±5.0 dyne/cm
Molar Volume: 314.1±5.0 cm3

Click to predict properties on the Chemicalize site


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