IUPAC name
5-isothiocyanato-2-methoxy-N,N,3-trimethylbenzamide
SMILES
Cc1cc(cc(c1OC)C(=O)N(C)C)N=C=S
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
tioxymid
IUPAC name
5-isothiocyanato-2-methoxy-N,N,3-trimethylbenzamide
SMILES
Cc1cc(cc(c1OC)C(=O)N(C)C)N=C=S
INCHI
InChI=1S/C12H14N2O2S/c1-8-5-9(13-7-17)6-10(11(8)16-4)12(15)14(2)3/h5-6H,1-4H3
FORMULA
C12H14N2O2S
Common name
tioxymid
IUPAC name
5-isothiocyanato-2-methoxy-N,N,3-trimethylbenzamide
Molecular weight
250.317
clogP
3.525
clogS
-2.871
HBond Acceptor
3
HBond Donor
0
Total Polar
Surface Area
73.99
Number of Rings
1
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00631 | 1-methoxy-2-methyl-benzene |
|
COc1c(cccc1)C | 0.0031 |
| FDBF00925 | N,N-dimethylformamide |
|
O=CN(C)C | 0.0041 |
| FDBF07585 | N,N,3-trimethylbenzamide |
|
C(=O)(N(C)C)c1cc(C)ccc1 | 0.0003 |
| FDBF07586 | 2-methoxy-N,N,3-trimethylbenzamide |
|
C(=O)(N(C)C)c1c(c(C)ccc1)OC | 0.0003 |
5 ,
1
