ChemSpider 2D Image | [1-Formamido-3-(methylsulfanyl)propyl]phosphonic acid | C5H12NO4PS

[1-Formamido-3-(methylsulfanyl)propyl]phosphonic acid

  • Molecular FormulaC5H12NO4PS
  • Average mass213.192 Da
  • Monoisotopic mass213.022461 Da
  • ChemSpider ID96349273

More details:

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

[1-Formamido-3-(methylsulfanyl)propyl]phosphonic acid [ACD/IUPAC Name]
[1-Formamido-3-(methylsulfanyl)propyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [1-formamido-3-(méthylsulfanyl)propyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [1-(formylamino)-3-(methylthio)propyl]- [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: 543.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 89.8±6.0 kJ/mol
Flash Point: 282.3±32.9 °C
Index of Refraction: 1.535
Molar Refractivity: 46.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.29
ACD/LogD (pH 5.5): -4.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 150.7±3.0 cm3

Click to predict properties on the Chemicalize site


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