ChemSpider 2D Image | Methyl 4-{2-[2-(octadecylcarbamothioyl)hydrazino]-2-oxoethoxy}benzoate | C29H49N3O4S

Methyl 4-{2-[2-(octadecylcarbamothioyl)hydrazino]-2-oxoethoxy}benzoate

  • Molecular FormulaC29H49N3O4S
  • Average mass535.782 Da
  • Monoisotopic mass535.344360 Da
  • ChemSpider ID102284773

More details:

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

4-{2-[2-(Octadécylcarbamothioyl)hydrazino]-2-oxoéthoxy}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2-[2-[(octadecylamino)thioxomethyl]hydrazinyl]-2-oxoethoxy]-, methyl ester [ACD/Index Name]
Methyl 4-{2-[2-(octadecylcarbamothioyl)hydrazino]-2-oxoethoxy}benzoate [ACD/IUPAC Name]
Methyl-4-{2-[2-(octadecylcarbamothioyl)hydrazino]-2-oxoethoxy}benzoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.522
Molar Refractivity: 155.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 9.92
ACD/LogD (pH 5.5): 9.09
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2101049.75
ACD/LogD (pH 7.4): 9.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2025863.13
Polar Surface Area: 121 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 510.0±3.0 cm3

Click to predict properties on the Chemicalize site


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