Common name
methylsulfanylethane
IUPAC name
methylsulfanylethane
SMILES
S(C)CC
Common name
methylsulfanylethane
IUPAC name
methylsulfanylethane
SMILES
S(C)CC
INCHI
InChI=1S/C3H8S/c1-3-4-2/h3H2,1-2H3
FORMULA
C3H8S
Common name
methylsulfanylethane
IUPAC name
methylsulfanylethane
Molecular weight
76.161
clogP
0.746
clogS
-1.041
Frequency
0.0089
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
25.3
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02092 | demeton-S-methyl |
|
Insecticide | Insecticide |
| FDBD02094 | disulfoton |
|
Insecticide | Insecticide |
| FDBD02105 | phorate |
|
Insecticide | Insecticide |
| FDBD02108 | thiometon |
|
Insecticide | Insecticide |
| FDBD02309 | sulfoxime |
|
Insecticide | Insecticide |
| FDBD03014 | mecarbinzid |
|
Fungicide | Fungicide |
26 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4eg4_ligand_2_2.mol2 | 4eg4 | 1 | -5.99 | CCSC | 4 |
| 4ega_ligand_2_2.mol2 | 4ega | 1 | -5.99 | CCSC | 4 |
| 4eg5_ligand_2_2.mol2 | 4eg5 | 1 | -5.98 | CCSC | 4 |
| 4eg6_ligand_2_2.mol2 | 4eg6 | 1 | -5.98 | C(SC)C | 4 |
| 4eg7_ligand_2_2.mol2 | 4eg7 | 1 | -5.95 | S(C)CC | 4 |
| 3f3d_ligand_2_2.mol2 | 3f3d | 1 | -5.91 | C(SC)C | 4 |
| 1pfy_ligand_2_13.mol2 | 1pfy | 1 | -5.88 | CCSC | 4 |
| 1pg2_ligand_2_2.mol2 | 1pg2 | 1 | -5.86 | CCSC | 4 |
| 1pfu_ligand_2_5.mol2 | 1pfu | 1 | -5.79 | CCSC | 4 |
142 ,
15
