O,O-Dimethyl O-(3-Methyl-4-Nitrosophenyl) Phosphorothioate

Molecule SVG Image

Properties Simple | Detailed

Formula C9H12NO4PS
IUPAC Name dimethoxy-(3-methyl-4-nitroso-phenoxy)-thioxo-λ5-phosphane
Molecular Mass 261.235 g·mol−1
Heat of Formation -649.4 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 288.97 Å 3
Surface Area 263.25 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
Synonyms
  • 4-nitrosofenitrothion
  • dimethoxy-(3-methyl-4-nitroso-phenoxy)-sulfanylidene-phosphorane
  • dimethoxy-(3-methyl-4-nitroso-phenoxy)-thioxo-phosphorane
  • dimethoxy-(3-methyl-4-nitrosophenoxy)-sulfanylidenephosphorane
  • dimethoxy-(3-methyl-4-nitrosophenoxy)-thioxophosphorane
  • phosphorothioic acid, o,o-dimethyl o-(4-nitroso-m-tolyl) ester
CAS Number(s)
  • 99803-60-8
InChIKey CNNSBOXZYDQHTQ-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P S