ChemSpider 2D Image | S-[(E)-(Hydroxyimino)(4-methylphenyl)methyl] (diethylamino)ethanethioate | C14H20N2O2S

S-[(E)-(Hydroxyimino)(4-methylphenyl)methyl] (diethylamino)ethanethioate

  • Molecular FormulaC14H20N2O2S
  • Average mass280.386 Da
  • Monoisotopic mass280.124542 Da
  • ChemSpider ID115297038

More details:

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

(Diéthylamino)éthanethioate de S-[(E)-(hydroxyimino)(4-méthylphényl)méthyle] [French] [ACD/IUPAC Name]
Ethanethioic acid, 2-(diethylamino)-, S-[(E)-(hydroxyimino)(4-methylphenyl)methyl] ester [ACD/Index Name]
S-[(E)-(Hydroxyimino)(4-methylphenyl)methyl] (diethylamino)ethanethioate [ACD/IUPAC Name]
S-[(E)-(Hydroxyimino)(4-methylphenyl)methyl]-(diethylamino)ethanthioat [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: 418.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 206.6±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 80.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.70
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 29.42
ACD/KOC (pH 7.4): 298.53
Polar Surface Area: 78 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 40.0±7.0 dyne/cm
Molar Volume: 251.5±7.0 cm3

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