Marvin  07120716132D          

 18 18  0  0  0  0            999 V2000
   -2.1236    2.4950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8381    1.2575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5525    1.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2670    1.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1236    1.6700    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5361    0.9555    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1236    0.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5361   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1236   -1.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4091    1.2575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6946    1.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0198    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6946    2.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7343    1.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7343    2.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4488    2.9075    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0198    1.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0198    0.4325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  5  1  2  0  0  0  0
  5  2  1  0  0  0  0
  5 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 13 11  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 17 14  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
M  END
> <ID>
CHEBI:38873

> <NAME>
prothiofos

> <DEFINITION>
An organic thiophosphate that is the 2,4-dichlorophenyl ester of O-ethyl S-propyl dithiophosphoric acid.

> <STAR>
3

> <SYNONYM>
Prothiophos; O-(2,4-dichlorophenyl) O-ethyl S-propyl dithiophosphate; Dichlorpropaphos

> <IUPAC_NAME>
O-(2,4-dichlorophenyl) O-ethyl S-propyl phosphorodithionate

> <FORMULA>
C11H15Cl2O2PS2

> <MASS>
345.24676

> <MONOISOTOPIC_MASS>
343.96281

> <CHARGE>
0

> <SMILES>
CCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl

> <INCHI>
InChI=1S/C11H15Cl2O2PS2/c1-3-7-18-16(17,14-4-2)15-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3

> <INCHIKEY>
FITIWKDOCAUBQD-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1998314

> <CAS_REGISTRY_NUMBER>
34643-46-4

> <REAXYS_REGISTRY_NUMBER>
1998314

> <CHEMIDPLUS>
34643-46-4

> <KEGG_COMPOUND_ACCESSION>
C18405

> <NIST_CHEMISTRY_WEBBOOK>
34643-46-4

> <PUBMED_CITATION>
10384797; 11337831; 11347620; 12842175; 17287007; 17592615; 19737786; 20390940; 21744237; 3192132

$$$$