IUPAC name
1-(4-chlorophenyl)-2-(methylthio)-1-propanone O-[(3-phenoxyphenyl)methyl]oxime
SMILES
CC(C(=NOCc1cccc(c1)Oc1ccccc1)c1ccc(cc1)Cl)SC
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
sulfoxime
IUPAC name
1-(4-chlorophenyl)-2-(methylthio)-1-propanone O-[(3-phenoxyphenyl)methyl]oxime
SMILES
CC(C(=NOCc1cccc(c1)Oc1ccccc1)c1ccc(cc1)Cl)SC
INCHI
InChI=1S/C23H22ClNO2S/c1-17(28-2)23(19-11-13-20(24)14-12-19)25-26-16-18-7-6-10-22(15-18)27-21-8-4-3-5-9-21/h3-15,17H,16H2,1-2H3
FORMULA
C23H22ClNO2S
Common name
sulfoxime
IUPAC name
1-(4-chlorophenyl)-2-(methylthio)-1-propanone O-[(3-phenoxyphenyl)methyl]oxime
Molecular weight
411.944
clogP
6.464
clogS
-6.903
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
56.12
Number of Rings
3
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF05024 | N-phenylmethoxymethanimine |
|
C(c1ccccc1)ON=C | 0.0007 |
| FDBF05025 | N-methylidenehydroxylamine |
|
ON=C | 0.0017 |
| FDBF05482 | (NZ)-N-propylidenehydroxylamine |
|
CC/C=N\O | 0.0003 |
| FDBF05486 | (2S)-N-methoxy-2-methylsulfanylpropan-1-imine |
|
S(C)[C@@H](C)/C=N\OC | 0.0003 |
| FDBF05487 | 3-[(methylideneamino)oxymethyl]phenol |
|
Oc1cc(CON=C)ccc1 | 0.0003 |
17 ,
2
