IUPAC name
O,O-dimethyl O-[3-methyl-4-(methylsulfinyl)phenyl] phosphorothioate
SMILES
Cc1cc(ccc1S(=O)C)OP(=S)(OC)OC
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
mesulfenfos
IUPAC name
O,O-dimethyl O-[3-methyl-4-(methylsulfinyl)phenyl] phosphorothioate
SMILES
Cc1cc(ccc1S(=O)C)OP(=S)(OC)OC
INCHI
InChI=1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3
FORMULA
C10H15O4PS2
Common name
mesulfenfos
IUPAC name
O,O-dimethyl O-[3-methyl-4-(methylsulfinyl)phenyl] phosphorothioate
Molecular weight
294.327
clogP
2.441
clogS
-2.945
HBond Acceptor
5
HBond Donor
0
Total Polar Surface Area
86.66
Number of Rings
1
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00356 | hydroxysulfanylmethane |
|
S(O)C | 0.0069 |
| FDBF01768 | methoxyphosphinothious acid |
|
O(C)PS | 0.0155 |
| FDBF02914 | m-cresol |
|
Oc1cc(ccc1)C | 0.0069 |
| FDBF04916 | sulfanylphosphinous acid |
|
OPS | 0.0292 |
| FDBF04999 | (3-methylphenoxy)phosphinothious acid |
|
O(c1cc(ccc1)C)PS | 0.0010 |
| FDBF05243 | 1-[hydroxy(methyl)-λ3-sulfanyl]-2-methylbenzene |
|
[S@](O)(C)c1c(C)cccc1 | 0.0003 |
| FDBF05244 | 4-[hydroxy(methyl)-λ3-sulfanyl]-3-methylphenol |
|
[S@](O)(C)c1c(C)cc(cc1)O | 0.0003 |
8 ,
1
