IUPAC name
4-chloro-2-(1,1-dimethylethyl)-5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-3(2H)-pyridazinone
SMILES
CC(C)(C)c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
pyridaben
IUPAC name
4-chloro-2-(1,1-dimethylethyl)-5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-3(2H)-pyridazinone
SMILES
CC(C)(C)c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C
INCHI
InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3
FORMULA
C19H25ClN2OS
Common name
pyridaben
IUPAC name
4-chloro-2-(1,1-dimethylethyl)-5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-3(2H)-pyridazinone
Molecular weight
364.933
clogP
5.212
clogS
-5.996
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
60.19
Number of Rings
2
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF01018 | phenylmethanethiol |
|
SCc1ccccc1 | 0.0034 |
| FDBF04836 | 4-chloro-3-oxo-2,3-dihydropyridazin-1-ium |
|
ClC1=CC=NNC1=O | 0.0014 |
| FDBF05389 | 2-tert-butyl-4-chloropyridazin-3-one |
|
C1=C(C(=O)N(N=C1)C(C)(C)C)Cl | 0.0003 |
6 ,
1
