IUPAC name
S-[2-[(4-chlorophenyl)(1-methylethyl)amino]-2-oxoethyl] O,O-dimethyl phosphorodithioate
SMILES
CC(C)N(c1ccc(cc1)Cl)C(=O)CSP(=S)(OC)OC
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
anilofos
IUPAC name
S-[2-[(4-chlorophenyl)(1-methylethyl)amino]-2-oxoethyl] O,O-dimethyl phosphorodithioate
SMILES
CC(C)N(c1ccc(cc1)Cl)C(=O)CSP(=S)(OC)OC
INCHI
InChI=1S/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3
FORMULA
C13H19ClNO3PS2
Common name
anilofos
IUPAC name
S-[2-[(4-chlorophenyl)(1-methylethyl)amino]-2-oxoethyl] O,O-dimethyl phosphorodithioate
Molecular weight
367.852
clogP
3.935
clogS
-3.456
HBond Acceptor
4
HBond Donor
0
Total Polar Surface Area
105.97
Number of Rings
1
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00015 | acetamide |
|
NC(=O)C | 0.0460 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF01143 | N-isopropylacetamide |
|
CC(C)NC(=O)C | 0.0024 |
| FDBF03731 | N-(4-chlorophenyl)formamide |
|
Clc1ccc(cc1)NC=O | 0.0007 |
| FDBF05661 | N-(4-chlorophenyl)-N-propan-2-ylformamide |
|
CC(C)N(C=O)c1ccc(cc1)Cl | 0.0003 |
| FDBF05664 | N-(4-chlorophenyl)-N-propan-2-ylacetamide |
|
CC(C)N(C(=O)C)c1ccc(cc1)Cl | 0.0003 |
| FDBF06041 | methoxyphosphinothious acid |
|
O(C)PS | 0.0021 |
11 ,
2
