ChemSpider 2D Image | Methyl 2-({2-[(E)-(2-hydroxy-3-methoxybenzylidene)amino]ethyl}amino)-1-cyclopentene-1-carbodithioate | C17H22N2O2S2

Methyl 2-({2-[(E)-(2-hydroxy-3-methoxybenzylidene)amino]ethyl}amino)-1-cyclopentene-1-carbodithioate

  • Molecular FormulaC17H22N2O2S2
  • Average mass350.499 Da
  • Monoisotopic mass350.112274 Da
  • ChemSpider ID30656496

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Cyclopentene-1-carbodithioic acid, 2-[[2-[[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino]ethyl]amino]-, methyl ester [ACD/Index Name]
2-({2-[(E)-(2-Hydroxy-3-méthoxybenzylidène)amino]éthyl}amino)-1-cyclopentène-1-carbodithioate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-({2-[(E)-(2-hydroxy-3-methoxybenzylidene)amino]ethyl}amino)-1-cyclopentene-1-carbodithioate [ACD/IUPAC Name]
Methyl-2-({2-[(E)-(2-hydroxy-3-methoxybenzyliden)amino]ethyl}amino)-1-cyclopenten-1-carbodithioat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 519.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 268.1±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 98.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 23.71
ACD/KOC (pH 5.5): 143.13
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 204.36
ACD/KOC (pH 7.4): 1233.56
Polar Surface Area: 111 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 43.4±7.0 dyne/cm
Molar Volume: 283.9±7.0 cm3

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