IUPAC name
ethyl α-[(dimethoxyphosphinothioyl)thio]benzeneacetate
SMILES
CCOC(=O)C(c1ccccc1)SP(=S)(OC)OC
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
phenthoate
IUPAC name
ethyl α-[(dimethoxyphosphinothioyl)thio]benzeneacetate
SMILES
CCOC(=O)C(c1ccccc1)SP(=S)(OC)OC
INCHI
InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3
FORMULA
C12H17O4PS2
Common name
phenthoate
IUPAC name
ethyl α-[(dimethoxyphosphinothioyl)thio]benzeneacetate
Molecular weight
320.365
clogP
3.631
clogS
-2.736
HBond Acceptor
5
HBond Donor
0
Total Polar Surface Area
111.96
Number of Rings
1
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00100 | ethyl formate |
|
O(C=O)CC | 0.0244 |
| FDBF00103 | ethyl acetate |
|
O(C(=O)C)CC | 0.0127 |
| FDBF01018 | phenylmethanethiol |
|
SCc1ccccc1 | 0.0034 |
| FDBF01768 | methoxyphosphinothious acid |
|
O(C)PS | 0.0155 |
6 ,
1
