Marvin  06180717382D          

 10  9  0  0  0  0            999 V2000
   -1.2032    2.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2032    1.4688    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9177    1.0563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4168    0.6720    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8334    0.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3467    1.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6323    1.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6323    2.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4887    1.0563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2257    1.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <ID>
CHEBI:34520

> <NAME>
acephate

> <DEFINITION>
A  phosphoramide that is  methamidophos in which one of the hydrogens is replaced by an acetyl group.

> <STAR>
3

> <SYNONYM>
O,S-Dimethylacetylphosphoroamidothioate; O,S-dimethyl acetylamidothiophosphate; N-(Methoxy(methylthio)phosphinoyl)acetamide; Acetylphosphoramidothioic acid O,S-dimethyl ester; Acetamidophos; Acephate

> <IUPAC_NAME>
O,S-dimethyl acetylphosphoroamidothioate

> <FORMULA>
C4H10NO3PS

> <MASS>
183.16690

> <MONOISOTOPIC_MASS>
183.01190

> <CHARGE>
0

> <SMILES>
COP(=O)(NC(C)=O)SC

> <INCHI>
InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)

> <INCHIKEY>
YASYVMFAVPKPKE-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1936365

> <CAS_REGISTRY_NUMBER>
30560-19-1

> <REAXYS_REGISTRY_NUMBER>
1936365

> <CHEMIDPLUS>
30560-19-1

> <KEGG_COMPOUND_ACCESSION>
C14426

> <NIST_CHEMISTRY_WEBBOOK>
30560-19-1

> <WIKIPEDIA_ACCESSION>
Acephate

> <PUBMED_CITATION>
16526463; 24001830; 24138465

$$$$