ChemSpider 2D Image | ({[2-(Ethylsulfanyl)-2-oxoethyl]amino}methyl)phosphonic acid | C5H12NO4PS

({[2-(Ethylsulfanyl)-2-oxoethyl]amino}methyl)phosphonic acid

  • Molecular FormulaC5H12NO4PS
  • Average mass213.192 Da
  • Monoisotopic mass213.022461 Da
  • ChemSpider ID74895803

More details:

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

({[2-(Ethylsulfanyl)-2-oxoethyl]amino}methyl)phosphonic acid [ACD/IUPAC Name]
({[2-(Ethylsulfanyl)-2-oxoethyl]amino}methyl)phosphonsäure [German] [ACD/IUPAC Name]
Acide ({[2-(éthylsulfanyl)-2-oxoéthyl]amino}méthyl)phosphonique [French] [ACD/IUPAC Name]
Ethanethioic acid, 2-[(phosphonomethyl)amino]-, S-ethyl 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: 394.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.8±6.0 kJ/mol
Flash Point: 192.6±30.7 °C
Index of Refraction: 1.536
Molar Refractivity: 46.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.81
ACD/LogD (pH 5.5): -4.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 150.1±3.0 cm3

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