ChemSpider 2D Image | 2-Oxo-3-thiophosphonopropanoic acid | C3H5O5PS

2-Oxo-3-thiophosphonopropanoic acid

  • Molecular FormulaC3H5O5PS
  • Average mass184.108 Da
  • Monoisotopic mass183.959534 Da
  • ChemSpider ID60746441

More details:

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

2-Oxo-3-thiophosphonopropanoic acid [ACD/IUPAC Name]
2-Oxo-3-thiophosphonopropansäure [German] [ACD/IUPAC Name]
Acide 2-oxo-3-thiophosphonopropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-(hydroxymercaptophosphinyl)-2-oxo- [ACD/Index Name]
137792-44-0 [RN]
MFCD20653953

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

Density: 1.7±0.1 g/cm3
Boiling Point: 376.6±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.5±6.0 kJ/mol
Flash Point: 181.6±28.4 °C
Index of Refraction: 1.555
Molar Refractivity: 33.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.30
ACD/LogD (pH 5.5): -6.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 13.4±0.5 10-24cm3
Surface Tension: 83.7±3.0 dyne/cm
Molar Volume: 105.5±3.0 cm3

Click to predict properties on the Chemicalize site


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