IUPAC name
1-(4-chloro-3-fluorophenyl)-2-(methylthio)ethanone O-[(2-methyl-[1,1'-biphenyl]-3-yl)methyl]oxime
SMILES
Cc1c(cccc1c1ccccc1)CON=C(CSC)c1ccc(c(c1)F)Cl
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
thiofluoximate
IUPAC name
1-(4-chloro-3-fluorophenyl)-2-(methylthio)ethanone O-[(2-methyl-[1,1'-biphenyl]-3-yl)methyl]oxime
SMILES
Cc1c(cccc1c1ccccc1)CON=C(CSC)c1ccc(c(c1)F)Cl
INCHI
InChI=1S/C23H21ClFNOS/c1-16-19(9-6-10-20(16)17-7-4-3-5-8-17)14-27-26-23(15-28-2)18-11-12-21(24)22(25)13-18/h3-13H,14-15H2,1-2H3
FORMULA
C23H21ClFNOS
Common name
thiofluoximate
IUPAC name
1-(4-chloro-3-fluorophenyl)-2-(methylthio)ethanone O-[(2-methyl-[1,1'-biphenyl]-3-yl)methyl]oxime
Molecular weight
413.935
clogP
7.649
clogS
-8.099
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
46.89
Number of Rings
3
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00052 | methylsulfanylmethane |
|
S(C)C | 0.0072 |
| FDBF01436 | o-xylene |
|
c1c(c(ccc1)C)C | 0.0034 |
| FDBF05018 | N-methoxymethanimine |
|
CON=C | 0.0017 |
| FDBF05527 | (NZ)-N-ethylidenehydroxylamine |
|
C/C=N\O | 0.0010 |
| FDBF05528 | (NE)-N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine |
|
c1(cc(c(cc1)Cl)F)/C=N/O | 0.0003 |
| FDBF05530 | (NZ)-N-(2-methylsulfanylethylidene)hydroxylamine |
|
S(C)C/C=N\O | 0.0003 |
| FDBF05531 | N-[(2-methylphenyl)methoxy]methanimine |
|
O(N=C)Cc1c(C)cccc1 | 0.0003 |
| FDBF05533 | N-methoxy-2-methylsulfanylethanimine |
|
S(C)C/C=N\OC | 0.0003 |
15 ,
2
