IUPAC name
S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate
SMILES
CCSC(=O)COc1ccc(cc1C)Cl
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
MCPA-thioethyl
IUPAC name
S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate
SMILES
CCSC(=O)COc1ccc(cc1C)Cl
INCHI
InChI=1S/C11H13ClO2S/c1-3-15-11(13)7-14-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3
FORMULA
C11H13ClO2S
Common name
MCPA-thioethyl
IUPAC name
S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate
Molecular weight
244.738
clogP
3.645
clogS
-3.949
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
51.6
Number of Rings
1
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00915 | ethanethioic S-acid |
|
SC(=O)C | 0.0007 |
| FDBF01326 | methanethioic S-acid |
|
SC=O | 0.0017 |
| FDBF02854 | 1-chloro-3-methyl-benzene |
|
Clc1cc(ccc1)C | 0.0031 |
| FDBF03020 | S-ethyl methanethioate |
|
S(C=O)CC | 0.0007 |
| FDBF06292 | 4-chloro-2-methylphenol |
|
c1(c(cc(cc1)Cl)C)O | 0.0024 |
| FDBF06293 | S-ethyl ethanethioate |
|
CC(=O)SCC | 0.0003 |
| FDBF06294 | 4-chloro-1-methoxy-2-methylbenzene |
|
c1(c(cc(cc1)Cl)C)OC | 0.0010 |
7 ,
1
