ChemSpider 2D Image | [2-(Carbamimidoylsulfanyl)ethyl]phosphonic acid | C3H9N2O3PS

[2-(Carbamimidoylsulfanyl)ethyl]phosphonic acid

  • Molecular FormulaC3H9N2O3PS
  • Average mass184.154 Da
  • Monoisotopic mass184.007141 Da
  • ChemSpider ID28675353

More details:

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

[2-(Carbamimidoylsulfanyl)ethyl]phosphonic acid [ACD/IUPAC Name]
[2-(Carbamimidoylsulfanyl)ethyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [2-(carbamimidoylsulfanyl)éthyl]phosphonique [French] [ACD/IUPAC Name]
Carbamimidothioic acid, 2-phosphonoethyl ester [ACD/Index Name]
114119-65-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 424.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±6.0 kJ/mol
Flash Point: 210.8±31.5 °C
Index of Refraction: 1.663
Molar Refractivity: 37.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.19
ACD/LogD (pH 5.5): -4.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 104.8±7.0 dyne/cm
Molar Volume: 101.0±7.0 cm3

Click to predict properties on the Chemicalize site


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