ChemSpider 2D Image | O,O-Diethyl [(1Z)-3-oxo-2-benzofuran-1(3H)-ylidene]phosphoramidothioate | C12H14NO4PS

O,O-Diethyl [(1Z)-3-oxo-2-benzofuran-1(3H)-ylidene]phosphoramidothioate

  • Molecular FormulaC12H14NO4PS
  • Average mass299.283 Da
  • Monoisotopic mass299.038116 Da
  • ChemSpider ID21782277

  • Double-bond stereo - Double-bond stereo

More details:

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

3-((O,O-Diethoxyphosphinothioyl)imino) phthalide
[(1Z)-3-Oxo-2-benzofuran-1(3H)-ylidène]phosphoramidothioate de O,O-diéthyle [French] [ACD/IUPAC Name]
O,O-Diethyl [(1Z)-3-oxo-2-benzofuran-1(3H)-ylidene]phosphoramidothioate [ACD/IUPAC Name]
O,O-Diethyl-[(1Z)-3-oxo-2-benzofuran-1(3H)-yliden]phosphoramidothioat [German] [ACD/IUPAC Name]
Phosphoramidothioic acid, N-[(1Z)-3-oxo-1(3H)-isobenzofuranylidene]-, O,O-diethyl ester [ACD/Index 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: 389.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.9±3.0 kJ/mol
Flash Point: 189.6±23.2 °C
Index of Refraction: 1.602
Molar Refractivity: 74.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 261.36
ACD/KOC (pH 5.5): 1870.13
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 261.36
ACD/KOC (pH 7.4): 1870.13
Polar Surface Area: 99 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 217.7±7.0 cm3

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