Common name
2-methylsulfanylethanol
IUPAC name
2-methylsulfanylethanol
SMILES
OCCSC
Common name
2-methylsulfanylethanol
IUPAC name
2-methylsulfanylethanol
SMILES
OCCSC
INCHI
InChI=1S/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3
FORMULA
C3H8OS
Common name
2-methylsulfanylethanol
IUPAC name
2-methylsulfanylethanol
Molecular weight
92.160
clogP
0.335
clogS
-0.519
Frequency
0.0007
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
45.53
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02085 | demephion |
|
Insecticide | Insecticide |
| FDBD02086 | demephion-O |
|
Insecticide | Insecticide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4wkp_ligand_4_175.mol2 | 4wkp | 1 | -5.32 | CSCCO | 5 |
| 2fj0_ligand_3_116.mol2 | 2fj0 | 1 | -5.22 | C(CO)SC | 5 |
| 1rhu_ligand_3_55.mol2 | 1rhu | 1 | -5.02 | C(O)CSC | 5 |
| 1rhr_ligand_3_451.mol2 | 1rhr | 1 | -4.94 | CSCCO | 5 |
| 4wkp_ligand_5_161.mol2 | 4wkp | 0.833333 | -5.65 | C(C)SCCO | 6 |
| 2fj0_ligand_4_205.mol2 | 2fj0 | 0.833333 | -5.54 | C(CO)SCC | 6 |
177 ,
18
