IUPAC name
O-[2-(ethylthio)ethyl] O,O-dimethyl phosphorothioate mixture with S-[2-(ethylthio)ethyl] O,O-dimethyl phosphorothioate
SMILES
CCSCCOP(=S)(OC)OC
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
demeton-methyl
IUPAC name
O-[2-(ethylthio)ethyl] O,O-dimethyl phosphorothioate mixture with S-[2-(ethylthio)ethyl] O,O-dimethyl phosphorothioate
SMILES
CCSCCOP(=S)(OC)OC
INCHI
InChI=1S/C6H15O3PS2/c1-4-12-6-5-9-10(11,7-2)8-3/h4-6H2,1-3H3
FORMULA
C6H15O3PS2
Common name
demeton-methyl
IUPAC name
O-[2-(ethylthio)ethyl] O,O-dimethyl phosphorothioate mixture with S-[2-(ethylthio)ethyl] O,O-dimethyl phosphorothioate
Molecular weight
230.285
clogP
2.525
clogS
-1.817
HBond Acceptor
4
HBond Donor
0
Total Polar Surface Area
94.89
Number of Rings
0
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00055 | methylsulfanylethane |
|
S(C)CC | 0.0089 |
| FDBF00099 | ethanethiol |
|
CCS | 0.0165 |
| FDBF01768 | methoxyphosphinothious acid |
|
O(C)PS | 0.0155 |
| FDBF03588 | 2-sulfanylethanol |
|
C(O)CS | 0.0021 |
| FDBF04844 | ethylsulfanylethane |
|
CCSCC | 0.0034 |
| FDBF04845 | 2-ethylsulfanylethanol |
|
OCCSCC | 0.0010 |
| FDBF04916 | sulfanylphosphinous acid |
|
OPS | 0.0292 |
| FDBF04918 | ethoxyphosphinothious acid |
|
O(CC)PS | 0.0220 |
9 ,
1
