Marvin  09291010522D          

 13 12  0  0  0  0            999 V2000
   -6.4484    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7339    0.9220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0194    2.1595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0194    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3049    0.9220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5905    1.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8760    0.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4471    0.9220    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7326    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7490    2.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1615    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5740    2.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8760    0.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7 11  1  0  0  0  0
 11  8  1  0  0  0  0
  8  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  4  0  0  0
M  END
> <ID>
CHEBI:2555

> <NAME>
aldicarb

> <DEFINITION>
The oxime carbamate resulting from the addition of 2-methyl-2-(methylsulfanyl)propanaldoxime to methyl isocyanate. A member of the class of oxime carbamate insecticides, aldicarb is a mixture of E and Z isomers; it is not known which isomer is more active.

> <STAR>
3

> <SYNONYM>
aldicarbe; aldicarb; Aldicarb; 2-Methyl-2-methylthio-propionaldehyd-O-(N-methyl-carbamoyl)-oxim; 2-Methyl-2-methylthio-propionaldehyd-O-(N-methyl-carbamoyl)-oxim; 2-Methyl-2-(methylthio)propionaldehyde O-(methylcarbamoyl)oxime; 2-Methyl-2-(methylthio)propanal, O-((methylamino)carbonyl)oxime

> <IUPAC_NAME>
2-methyl-N-[(methylcarbamoyl)oxy]-2-(methylsulfanyl)propan-1-imine

> <FORMULA>
C7H14N2O2S

> <MASS>
190.26300

> <MONOISOTOPIC_MASS>
190.07760

> <CHARGE>
0

> <SMILES>
[H]C(=NOC(=O)NC)C(C)(C)SC

> <INCHI>
InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)

> <INCHIKEY>
QGLZXHRNAYXIBU-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2046931

> <CAS_REGISTRY_NUMBER>
116-06-3

> <CHEMIDPLUS>
116-06-3

> <KEGG_COMPOUND_ACCESSION>
C11015

> <LINCS_ACCESSION>
LSM-20978

> <NIST_CHEMISTRY_WEBBOOK>
116-06-3

$$$$