IUPAC name
O-ethyl O-(4-methyl-2-nitrophenyl) N-(1-methylethyl)phosphoramidothioate
SMILES
CCOP(=S)(NC(C)C)Oc1ccc(C)cc1N(=O)=O
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
amiprophos
IUPAC name
O-ethyl O-(4-methyl-2-nitrophenyl) N-(1-methylethyl)phosphoramidothioate
SMILES
CCOP(=S)(NC(C)C)Oc1ccc(C)cc1N(=O)=O
INCHI
InChI=1S/C12H19N2O4PS/c1-5-17-19(20,13-9(2)3)18-12-7-6-10(4)8-11(12)14(15)16/h6-9H,5H2,1-4H3,(H,13,20)
FORMULA
C12H19N2O4PS
Common name
amiprophos
IUPAC name
O-ethyl O-(4-methyl-2-nitrophenyl) N-(1-methylethyl)phosphoramidothioate
Molecular weight
318.329
clogP
2.071
clogS
-3.539
HBond Acceptor
6
HBond Donor
1
Total Polar Surface Area
106.53
Number of Rings
1
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00208 | propan-2-amine |
|
CC(N)C | 0.0210 |
| FDBF04918 | ethoxyphosphinothious acid |
|
O(CC)PS | 0.0220 |
| FDBF05166 | (propan-2-ylamino)phosphinothious acid |
|
P(S)NC(C)C | 0.0021 |
| FDBF05657 | 1-methyl-3-nitrobenzene |
|
c1c(cc(cc1)C)N(=O)=O | 0.0007 |
| FDBF06042 | sulfanylphosphinous acid |
|
OPS | 0.0024 |
7 ,
1
