Marvin  06290714362D          

 12 11  0  0  0  0            999 V2000
    4.7079    1.3568    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9935    0.1193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2790    0.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4944   -0.2651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9069   -0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    0.5318    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.4224    0.1193    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1369    0.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8514   -0.7057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8514    0.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5658    0.5318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2803    0.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  2  0  0  0  0
  6  2  1  0  0  0  0
  6  4  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
 10  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <ID>
CHEBI:34714

> <NAME>
dimethoate

> <DEFINITION>
A monocarboxylic acid amide that is N-methylacetamide in which one of the hydrogens of the methyl group attached to the carbonyl moiety is replaced by a (dimethoxyphosphorothioyl)sulfanediyl group.

> <STAR>
3

> <SYNONYM>
Phosphorodithioic acid, O,O-dimethyl S-(2-(methylamino)-2-oxoethyl) ester; Phosphamide; O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate; Dimethoate; 2-Dimethoxyphosphinothioylthio-N-methylacetamide

> <IUPAC_NAME>
O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] phosphorodithioate

> <FORMULA>
C5H12NO3PS2

> <MASS>
229.25948

> <MONOISOTOPIC_MASS>
228.99962

> <CHARGE>
0

> <SMILES>
CNC(=O)CSP(=S)(OC)OC

> <INCHI>
InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)

> <INCHIKEY>
MCWXGJITAZMZEV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
60-51-5

> <REAXYS_REGISTRY_NUMBER>
1785339

> <CHEMIDPLUS>
60-51-5

> <KEGG_COMPOUND_ACCESSION>
C14326

> <LINCS_ACCESSION>
LSM-24992

> <NIST_CHEMISTRY_WEBBOOK>
60-51-5

> <PESTICIDES_ACCESSION>
dimethoate

> <WIKIPEDIA_ACCESSION>
Dimethoate

> <PUBMED_CITATION>
11054639; 15803959

$$$$