Marvin  06270713472D          

 16 16  0  0  0  0            999 V2000
   -0.2812    3.1687    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2812    2.3438    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    0.4332    1.9313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1477    2.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9957    1.9312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7102    2.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6937    1.6293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6937    0.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4089    0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4104   -0.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0200    0.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6967   -0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6967   -1.6708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4112   -2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0185   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7330   -0.8470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 12 15  1  0  0  0  0
 15 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <ID>
CHEBI:34761

> <NAME>
fenthion

> <DEFINITION>
An organic thiophosphate that is O,O-dimethyl hydrogen phosphorothioate in which the hydrogen atom of the hydroxy group is replaced by a 3-methyl-4-(methylsulfanyl)phenyl group. It exhibits  acaricidal and insecticidal activities.

> <STAR>
3

> <SYNONYM>
Phosphorothioic acid, O,O-dimethyl O-(3-methyl-4-(methylthio)phenyl) ester; O,O-Dimethyl-O-4-(methylmercapto)-3-methylphenyl thiophosphate; O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] thiophosphate; O,O-Dimethyl O-4-methylthio-m-tolyl phosphorothioate; O,O-Dimethyl O-4-(methylmercapto)-3-methylphenyl phosphorothioate; MPP; Mercaptophos; Fenthion; 4-Methylmercapto-3-methylphenyl dimethyl thiophosphate

> <IUPAC_NAME>
O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate

> <FORMULA>
C10H15O3PS2

> <MASS>
278.33006

> <MONOISOTOPIC_MASS>
278.02002

> <CHARGE>
0

> <SMILES>
COP(=S)(OC)Oc1ccc(SC)c(C)c1

> <INCHI>
InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3

> <INCHIKEY>
PNVJTZOFSHSLTO-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1974129

> <CAS_REGISTRY_NUMBER>
55-38-9

> <REAXYS_REGISTRY_NUMBER>
1974129

> <CHEMIDPLUS>
55-38-9

> <KEGG_COMPOUND_ACCESSION>
C14420

> <KEGG_DRUG_ACCESSION>
D07950

> <LINCS_ACCESSION>
LSM-25615

> <NIST_CHEMISTRY_WEBBOOK>
55-38-9

> <WIKIPEDIA_ACCESSION>
Fenthion

> <PUBMED_CITATION>
11048676; 18558709

$$$$