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 |
|---|---|---|---|---|
| FDBF00719 | 1-chloro-2-fluoro-benzene |
|
Clc1ccccc1F | 0.0021 |
| FDBF05025 | N-methylidenehydroxylamine |
|
ON=C | 0.0017 |
| FDBF05529 | (NE)-N-[1-(4-chloro-3-fluorophenyl)ethylidene]hydroxylamine |
|
c1(cc(c(cc1)Cl)F)/C(=N/O)/C | 0.0003 |
| FDBF05532 | N-methoxyethanimine |
|
C/C=N\OC | 0.0014 |
| FDBF05534 | N-[(2-methylphenyl)methoxy]ethanimine |
|
C/C=N\OCc1c(C)cccc1 | 0.0003 |
15 ,
2
