ChemSpider 2D Image | [1-(Carbamothioylamino)ethyl]phosphonic acid | C3H9N2O3PS

[1-(Carbamothioylamino)ethyl]phosphonic acid

  • Molecular FormulaC3H9N2O3PS
  • Average mass184.154 Da
  • Monoisotopic mass184.007141 Da
  • ChemSpider ID60613626

More details:

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

[1-(Carbamothioylamino)ethyl]phosphonic acid [ACD/IUPAC Name]
[1-(Carbamothioylamino)ethyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [1-(carbamothioylamino)éthyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [1-[(aminothioxomethyl)amino]ethyl]- [ACD/Index Name]
1071142-73-8 [RN]
MFCD20680233

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

Density: 1.6±0.1 g/cm3
Boiling Point: 413.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.1±6.0 kJ/mol
Flash Point: 203.7±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 40.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.46
ACD/LogD (pH 5.5): -5.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 93.7±3.0 dyne/cm
Molar Volume: 115.1±3.0 cm3

Click to predict properties on the Chemicalize site


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