ChemSpider 2D Image | O,O,O',O'-Tetrakis[(~2~H_3_)methyl] O,O'-(sulfanediyldi-4,1-phenylene) bis(phosphorothioate) | C16H8D12O6P2S3

O,O,O',O'-Tetrakis[(2H3)methyl] O,O'-(sulfanediyldi-4,1-phenylene) bis(phosphorothioate)

  • Molecular FormulaC16H8D12O6P2S3
  • Average mass478.543 Da
  • Monoisotopic mass478.065033 Da
  • ChemSpider ID24532171
  • Non-standard isotope - Non-standard isotope


More details:






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

1219795-39-7 [RN]
Bis(phosphorothioate) de O,O,O',O'-tétrakis[(2H3)méthyle] et de O,O'-(sulfanediyldi-4,1-phénylène) [French] [ACD/IUPAC Name]
O,O,O',O'-Tetrakis[(2H3)methyl] O,O'-(sulfanediyldi-4,1-phenylene) bis(phosphorothioate) [ACD/IUPAC Name]
O,O,O',O'-Tetrakis[(2H3)methyl]-O,O'-(sulfandiyldi-4,1-phenylen)bis(phosphorothioat) [German] [ACD/IUPAC Name]
Phosphorothioic acid, O,O,O',O'-tetramethyl-d3 O,O'-(thiodi-4,1-phenylene) ester [ACD/Index Name]
[4-[4-[bis(trideuteriomethoxy)phosphinothioyloxy]phenyl]sulfanylphenoxy]-thioxo-bis(trideuteriomethoxy)-&λ
5-phosphane
Temephos-d12 (O,O,O',O'-tetramethyl-d12)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 518.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 267.4±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 115.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 5.73
ACD/BCF (pH 5.5): 13375.03
ACD/KOC (pH 5.5): 31274.45
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 13375.03
ACD/KOC (pH 7.4): 31274.45
Polar Surface Area: 164 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 333.2±5.0 cm3

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