ChemSpider 2D Image | MFCD03428144 | C5H6D6NO3PS2


  • Molecular FormulaC5H6D6NO3PS2
  • Average mass235.294 Da
  • Monoisotopic mass235.037277 Da
  • ChemSpider ID24532460
  • Non-standard isotope - Non-standard isotope

More details:

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

1219794-81-6 [RN]
O,O-Bis[(2H3)methyl] S-[2-(methylamino)-2-oxoethyl] phosphorodithioate [ACD/IUPAC Name]
O,O-Bis[(2H3)methyl]-S-[2-(methylamino)-2-oxoethyl]phosphorodithioat [German] [ACD/IUPAC Name]
O,O-Di(methyl-d3) S-methylcarbamoylmethyl phosphorodithioate
Phosphorodithioate de S-[2-(méthylamino)-2-oxoéthyle] et de O,O-bis[(2H3)méthyle] [French] [ACD/IUPAC Name]
Phosphorodithioic acid, O,O-dimethyl-d3 S-[2-(methylamino)-2-oxoethyl] ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.532
Molar Refractivity: 54.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.57
ACD/KOC (pH 5.5): 86.62
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.57
ACD/KOC (pH 7.4): 86.62
Polar Surface Area: 115 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 175.7±3.0 cm3

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