O,O-Diisopropyl Hydrogen Phosphorothioate

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Properties Simple | Detailed

Formula C6H15O3PS
IUPAC Name hydroxy-diisopropoxy-thioxo-λ5-phosphane
Molecular Mass 198.220 g·mol−1
Heat of Formation -960.4 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 243.95 Å 3
Surface Area 222.17 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 3.01 ± eV
Point Group Symmetry C1
Synonyms
  • desbenzyl ibp
  • diisopropylthiophosphate
  • hydroxy-di(propan-2-yloxy)-sulfanylidene-phosphorane
  • hydroxy-diisopropoxy-thioxo-phosphorane
  • hydroxy-diisopropoxy-thioxophosphorane
  • isopropyl phosphorothioate
  • o,o-diisopropyl thiophosphate
  • o,o-diisopropylthiolphosphoric acid
  • phosphorothioic acid, o,o-bis(1-methylethyl) ester
  • phosphorothioic acid, o,o-diisopropyl ester
  • thiophosphoric acid, o,o'-diisopropyl ester
CAS Number(s)
  • 4486-44-6
InChIKey RPSWUJJTYUNDDU-UHFFFAOYSA-N
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