Common name
ethylsulfanylethane
IUPAC name
ethylsulfanylethane
SMILES
CCSCC
Common name
ethylsulfanylethane
IUPAC name
ethylsulfanylethane
SMILES
CCSCC
INCHI
InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3
FORMULA
C4H10S
Common name
ethylsulfanylethane
IUPAC name
ethylsulfanylethane
Molecular weight
90.187
clogP
1.145
clogS
-1.477
Frequency
0.0034
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
25.3
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02088 | demeton |
|
Insecticide | Insecticide |
| FDBD02089 | demeton-O |
|
Insecticide | Insecticide |
| FDBD02090 | demeton-S |
|
Insecticide | Insecticide |
| FDBD02091 | demeton-methyl |
|
Insecticide | Insecticide |
| FDBD02092 | demeton-S-methyl |
|
Insecticide | Insecticide |
| FDBD02094 | disulfoton |
|
Insecticide | Insecticide |
| FDBD02108 | thiometon |
|
Insecticide | Insecticide |
| FDBD02503 | clethodim |
|
Herbicide | Herbicide |
| FDBD02504 | cloproxydim |
|
Herbicide | Herbicide |
| FDBD02507 | sethoxydim |
|
Herbicide | Herbicide |
10 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4jkt_ligand_4_0.mol2 | 4jkt | 1 | -6.12 | S(CC)CC | 5 |
| 4wkp_ligand_4_105.mol2 | 4wkp | 1 | -5.90 | C(C)SCC | 5 |
| 2j9h_ligand_4_645.mol2 | 2j9h | 1 | -5.71 | CCSCC | 5 |
| 4hj2_ligand_4_1930.mol2 | 4hj2 | 1 | -5.69 | CCSCC | 5 |
| 11gs_ligand_4_1118.mol2 | 11gs | 1 | -5.66 | CCSCC | 5 |
| 2c80_ligand_4_645.mol2 | 2c80 | 1 | -5.60 | CCSCC | 5 |
| 1ydk_ligand_4_645.mol2 | 1ydk | 1 | -5.51 | CCSCC | 5 |
153 ,
16
