ChemSpider 2D Image | S-[3-(Ethylsulfanyl)propyl] dihydrogen phosphorothioate | C5H13O3PS2

S-[3-(Ethylsulfanyl)propyl] dihydrogen phosphorothioate

  • Molecular FormulaC5H13O3PS2
  • Average mass216.259 Da
  • Monoisotopic mass216.004364 Da
  • ChemSpider ID67035888

More details:

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

1-Propanethiol, 3-(ethylthio)-, dihydrogen phosphate [ACD/Index Name]
Dihydrogénophosphorothioate de S-[3-(éthylsulfanyl)propyle] [French] [ACD/IUPAC Name]
S-[3-(Ethylsulfanyl)propyl] dihydrogen phosphorothioate [ACD/IUPAC Name]
S-[3-(Ethylsulfanyl)propyl]dihydrogenphosphorothioat [German] [ACD/IUPAC Name]
(b-ethylthioethyl)methylthiophosphonate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 402.9±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.8±6.0 kJ/mol
Flash Point: 197.5±29.3 °C
Index of Refraction: 1.560
Molar Refractivity: 51.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.67
ACD/LogD (pH 5.5): -3.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 158.2±3.0 cm3

Click to predict properties on the Chemicalize site


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