IUPAC name
O,O-diethyl O-[2-(ethylthio)ethyl] phosphorothioate mixture with O,O-diethyl S-[2-(ethylthio)ethyl] phosphorothioate
SMILES
CCOP(=S)(OCC)OCCSCC
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
demeton
IUPAC name
O,O-diethyl O-[2-(ethylthio)ethyl] phosphorothioate mixture with O,O-diethyl S-[2-(ethylthio)ethyl] phosphorothioate
SMILES
CCOP(=S)(OCC)OCCSCC
INCHI
InChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3
FORMULA
C8H19O3PS2
Common name
demeton
IUPAC name
O,O-diethyl O-[2-(ethylthio)ethyl] phosphorothioate mixture with O,O-diethyl S-[2-(ethylthio)ethyl] phosphorothioate
Molecular weight
258.338
clogP
3.277
clogS
-2.623
HBond Acceptor
4
HBond Donor
0
Total Polar Surface Area
94.89
Number of Rings
0
Rotatable Bond
9
| 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
