IUPAC name
1-methylethyl (2E)-3-[[(ethylamino)methoxyphosphinothioyl]oxy]-2-butenoate
SMILES
CCNP(=S)(OC)O/C(=C/C(=O)OC(C)C)/C
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
propetamphos
IUPAC name
1-methylethyl (2E)-3-[[(ethylamino)methoxyphosphinothioyl]oxy]-2-butenoate
SMILES
CCNP(=S)(OC)O/C(=C/C(=O)OC(C)C)/C
INCHI
InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7+
FORMULA
C10H20NO4PS
Common name
propetamphos
IUPAC name
1-methylethyl (2E)-3-[[(ethylamino)methoxyphosphinothioyl]oxy]-2-butenoate
Molecular weight
281.309
clogP
2.315
clogS
-1.800
HBond Acceptor
5
HBond Donor
1
Total Polar Surface Area
98.69
Number of Rings
0
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00904 | (Z)-but-2-enoic acid |
|
C(=CC(=O)O)C | 0.0010 |
| FDBF01768 | methoxyphosphinothious acid |
|
O(C)PS | 0.0155 |
| FDBF04806 | (E)-3-hydroxybut-2-enoic acid |
|
O/C(=C/C(=O)O)/C | 0.0007 |
| FDBF05357 | propan-2-yl (Z)-but-2-enoate |
|
C(C)(C)OC(=O)/C=C\C | 0.0003 |
| FDBF05358 | propan-2-yl (E)-3-hydroxybut-2-enoate |
|
O/C(=C/C(=O)OC(C)C)/C | 0.0003 |
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