ChemSpider 2D Image | 4-({2-[3-(Methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1,5-dihydro-4H-imidazol-4-ylidene}methyl)phenolate | C16H15N2O4S

4-({2-[3-(Methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1,5-dihydro-4H-imidazol-4-ylidene}methyl)phenolate

  • Molecular FormulaC16H15N2O4S
  • Average mass331.367 Da
  • Monoisotopic mass331.075806 Da
  • ChemSpider ID22376899

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

1H-Imidazole-1-acetaldehyde, 4,5-dihydro-4-[(4-hydroxyphenyl)methylene]-2-[3-(methylthio)-1-oxopropyl]-5-oxo-, ion(1-) [ACD/Index Name]
4-({2-[3-(Methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1,5-dihydro-4H-imidazol-4-yliden}methyl)phenolat [German] [ACD/IUPAC Name]
4-({2-[3-(Methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1,5-dihydro-4H-imidazol-4-ylidene}methyl)phenolate [ACD/IUPAC Name]
4-({2-[3-(Méthylsulfanyl)propanoyl]-5-oxo-1-(2-oxoéthyl)-1,5-dihydro-4H-imidazol-4-ylidène}méthyl)phénolate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 523.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 270.6±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.05
ACD/KOC (pH 5.5): 110.84
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.94
ACD/KOC (pH 7.4): 108.63
Polar Surface Area: 115 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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