IUPAC name
S-[(4-methoxyphenyl)methyl] N,N-diethylcarbamothioate
SMILES
CCN(CC)C(=O)SCc1ccc(cc1)OC
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
methiobencarb
IUPAC name
S-[(4-methoxyphenyl)methyl] N,N-diethylcarbamothioate
SMILES
CCN(CC)C(=O)SCc1ccc(cc1)OC
INCHI
InChI=1S/C13H19NO2S/c1-4-14(5-2)13(15)17-10-11-6-8-12(16-3)9-7-11/h6-9H,4-5,10H2,1-3H3
FORMULA
C13H19NO2S
Common name
methiobencarb
IUPAC name
S-[(4-methoxyphenyl)methyl] N,N-diethylcarbamothioate
Molecular weight
253.360
clogP
2.552
clogS
-3.309
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
54.84
Number of Rings
1
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00211 | anisole |
|
COc1ccccc1 | 0.0423 |
| FDBF00218 | 1-methoxy-4-methyl-benzene |
|
O(C)c1ccc(cc1)C | 0.0113 |
| FDBF06083 | diethylcarbamothioic S-acid |
|
N(C(=O)S)(CC)CC | 0.0024 |
| FDBF06084 | S-methyl N-ethylcarbamothioate |
|
N(C(=O)SC)CC | 0.0021 |
6 ,
1
