Common name
N-methoxy-2-methylsulfanylethanimine
IUPAC name
N-methoxy-2-methylsulfanylethanimine
SMILES
S(C)C/C=N\OC
Common name
N-methoxy-2-methylsulfanylethanimine
IUPAC name
N-methoxy-2-methylsulfanylethanimine
SMILES
S(C)C/C=N\OC
INCHI
InChI=1S/C4H9NOS/c1-6-5-3-4-7-2/h3H,4H2,1-2H3/b5-3-
FORMULA
C4H9NOS
Common name
N-methoxy-2-methylsulfanylethanimine
IUPAC name
N-methoxy-2-methylsulfanylethanimine
Molecular weight
119.185
clogP
0.995
clogS
-0.953
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
46.89
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02310 | thiofluoximate |
|
Insecticide | Insecticide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ha5_ligand_1_2.mol2 | 2ha5 | 0.291667 | -5.64 | CSC(=O)C | 5 |
| 2ha7_ligand_2_4.mol2 | 2ha7 | 0.291667 | -5.61 | C(=O)(SC)C | 5 |
| 2ha7_ligand_2_7.mol2 | 2ha7 | 0.291667 | -5.43 | C(=O)SCC | 5 |
| 4wkp_ligand_4_175.mol2 | 4wkp | 0.291667 | -5.32 | CSCCO | 5 |
| 2fj0_ligand_3_116.mol2 | 2fj0 | 0.291667 | -5.22 | C(CO)SC | 5 |
| 1rhu_ligand_3_55.mol2 | 1rhu | 0.291667 | -5.02 | C(O)CSC | 5 |
162 ,
17
