ChemSpider 2D Image | Phosphorohydrazidothioic acid, N-methyl-N'-[(1E)-(4-oxo-4H-1-benzopyran-3-yl)methylene]-, O,O-dimethyl ester | C13H15N2O4PS

Phosphorohydrazidothioic acid, N-methyl-N'-[(1E)-(4-oxo-4H-1-benzopyran-3-yl)methylene]-, O,O-dimethyl ester

  • Molecular FormulaC13H15N2O4PS
  • Average mass326.308 Da
  • Monoisotopic mass326.049011 Da
  • ChemSpider ID21174248

  • Double-bond stereo - Double-bond stereo

More details:

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

Phosphorohydrazidothioic acid, N-methyl-N'-[(1E)-(4-oxo-4H-1-benzopyran-3-yl)methylene]-, O,O-dimethyl ester [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: 397.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 194.4±30.7 °C
Index of Refraction: 1.597
Molar Refractivity: 83.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 61.08
ACD/KOC (pH 5.5): 660.59
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 61.08
ACD/KOC (pH 7.4): 660.60
Polar Surface Area: 102 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 243.7±7.0 cm3

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