Found 1 result

Search term: PTTVKICEMNBDDQ-LZYBPNLTSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (E)-N-Hydroxy-1-[4-methoxy-4'-methyl-5-(methylsulfanyl)-2,2'-bipyridin-6-yl]methanimine | C14H15N3O2S

(E)-N-Hydroxy-1-[4-methoxy-4'-methyl-5-(methylsulfanyl)-2,2'-bipyridin-6-yl]methanimine

  • Molecular FormulaC14H15N3O2S
  • Average mass289.353 Da
  • Monoisotopic mass289.088501 Da
  • ChemSpider ID30834003

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-N-Hydroxy-1-[4-methoxy-4'-methyl-5-(methylsulfanyl)-2,2'-bipyridin-6-yl]methanimin [German] [ACD/IUPAC Name]
(E)-N-Hydroxy-1-[4-methoxy-4'-methyl-5-(methylsulfanyl)-2,2'-bipyridin-6-yl]methanimine [ACD/IUPAC Name]
(E)-N-Hydroxy-1-[4-méthoxy-4'-méthyl-5-(méthylsulfanyl)-2,2'-bipyridin-6-yl]méthanimine [French] [ACD/IUPAC Name]
[2,2'-Bipyridine]-6-carboxaldehyde, 4-methoxy-4'-methyl-5-(methylthio)-, oxime [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 458.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 231.1±28.7 °C
Index of Refraction: 1.616
Molar Refractivity: 80.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 141.87
ACD/KOC (pH 5.5): 1181.19
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 152.58
ACD/KOC (pH 7.4): 1270.38
Polar Surface Area: 93 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 230.8±7.0 cm3

Click to predict properties on the Chemicalize site


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