Marvin  06250717252D          

 19 18  0  0  0  0            999 V2000
   -4.9063    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1918    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3339    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2385    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4773    0.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8095    0.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5240    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7628    1.9250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0950    1.9250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6194    0.6875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0484    0.6875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7628    1.1000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    0.0950    1.1000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -2.9764    0.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3930   -0.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6065   -1.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3086    0.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2748   -0.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0613   -1.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  5  1  0  0  0  0
  5 12  1  0  0  0  0
 12 11  1  0  0  0  0
 11  3  1  0  0  0  0
  3 10  1  0  0  0  0
 10 13  1  0  0  0  0
 13  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  1  0  0  0  0
 12 14  1  0  0  0  0
 13 17  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <ID>
CHEBI:38663

> <NAME>
ethion

> <DEFINITION>
An organic thiophosphate that is S,S'-methanediyl bis[dihydrogen (phosphorodithioate)] in which all the hydroxy groups have been converted to their corresponding ethyl esters respectively. Ethion is an organophosphate insecticide with inhibitory activity towards the enzyme acetylcholinesterase ( EC 3.1.1.7).

> <STAR>
3

> <SYNONYM>
S,S'-Methylene bis(O,O-diethyl phosphorodithioate); O,O,O',O'-Tetraethyl S,S'-methylenebis(phosphorodithioate); O,O,O',O'-tetraethyl S,S'-methanediyl bis(dithiophosphate); Bis(S-(diethoxyphosphinothioyl)mercapto)methane

> <IUPAC_NAME>
O,O,O',O'-tetraethyl S,S'-methanediyl bis(phosphorodithioate)

> <FORMULA>
C9H22O4P2S4

> <MASS>
384.48010

> <MONOISOTOPIC_MASS>
383.98762

> <CHARGE>
0

> <SMILES>
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC

> <INCHI>
InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3

> <INCHIKEY>
RIZMRRKBZQXFOY-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1804530

> <CAS_REGISTRY_NUMBER>
563-12-2

> <REAXYS_REGISTRY_NUMBER>
1804530

> <CHEMIDPLUS>
563-12-2

> <KEGG_COMPOUND_ACCESSION>
C18725

> <NIST_CHEMISTRY_WEBBOOK>
563-12-2

> <WIKIPEDIA_ACCESSION>
Ethion

> <PUBMED_CITATION>
21366965; 21560835; 23127602; 24398360; 24401442

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