Found 1 result

Search term: CSCCC(=N)C1=N\C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=O (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | {(4Z)-4-(4-Hydroxybenzylidene)-2-[(1Z)-3-(methylsulfanyl)propanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid | C16H17N3O4S

{(4Z)-4-(4-Hydroxybenzylidene)-2-[(1Z)-3-(methylsulfanyl)propanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

  • Molecular FormulaC16H17N3O4S
  • Average mass347.389 Da
  • Monoisotopic mass347.093964 Da
  • ChemSpider ID59052730

  • Double-bond stereo - Double-bond stereo

More details:

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

{(4Z)-4-(4-Hydroxybenzyliden)-2-[(1Z)-3-(methylsulfanyl)propanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}essigsäure [German] [ACD/IUPAC Name]
{(4Z)-4-(4-Hydroxybenzylidene)-2-[(1Z)-3-(methylsulfanyl)propanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid [ACD/IUPAC Name]
1H-Imidazole-1-acetic acid, 4,5-dihydro-4-[(4-hydroxyphenyl)methylene]-2-[(1Z)-1-imino-3-(methylthio)propyl]-5-oxo-, (4Z)- [ACD/Index Name]
Acide {(4Z)-4-(4-hydroxybenzylidène)-2-[(1Z)-3-(méthylsulfanyl)propanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acétique [French] [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: 565.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 295.9±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 91.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.59
ACD/LogD (pH 7.4): -1.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 248.2±7.0 cm3

Click to predict properties on the Chemicalize site


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