IUPAC name
O-ethyl S-(phenylmethyl) P-phenylphosphonothioate
SMILES
CCOP(=O)(c1ccccc1)SCc1ccccc1
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
inezin
IUPAC name
O-ethyl S-(phenylmethyl) P-phenylphosphonothioate
SMILES
CCOP(=O)(c1ccccc1)SCc1ccccc1
INCHI
InChI=1S/C15H17O2PS/c1-2-17-18(16,15-11-7-4-8-12-15)19-13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
FORMULA
C15H17O2PS
Common name
inezin
IUPAC name
O-ethyl S-(phenylmethyl) P-phenylphosphonothioate
Molecular weight
292.333
clogP
3.363
clogS
-4.459
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
51.6
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF01018 | phenylmethanethiol |
|
SCc1ccccc1 | 0.0034 |
| FDBF01085 | phosphonous acid |
|
P(O)O | 0.0031 |
| FDBF04714 | ethoxyphosphinous acid |
|
C(C)OPO | 0.0024 |
| FDBF07216 | phenylphosphonous acid |
|
OP(O)c1ccccc1 | 0.0003 |
| FDBF07217 | ethoxy(phenyl)phosphinous acid |
|
CCOP(O)c1ccccc1 | 0.0003 |
7 ,
1
