Common name
(dihydroxy-λ3-sulfanyl)ethane
IUPAC name
(dihydroxy-λ3-sulfanyl)ethane
SMILES
C(C)[S](O)O
Common name
(dihydroxy-λ3-sulfanyl)ethane
IUPAC name
(dihydroxy-λ3-sulfanyl)ethane
SMILES
C(C)[S](O)O
INCHI
InChI=1S/C2H7O2S/c1-2-5(3)4/h3-4H,2H2,1H3
FORMULA
C2H7O2S
Common name
(dihydroxy-λ3-sulfanyl)ethane
IUPAC name
(dihydroxy-λ3-sulfanyl)ethane
Molecular weight
95.141
clogP
-1.711
clogS
0.452
Frequency
0.0055
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
40.46
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02821 | rimsulfuron |
|
Herbicide | Herbicide |
| FDBD02823 | sulfosulfuron |
|
Herbicide | Herbicide |
| FDBD02838 | buthiuron |
|
Herbicide | Herbicide |
| FDBD02839 | ethidimuron |
|
Herbicide | Herbicide |
| FDBD03247 | ethylicin |
|
Fungicide | Fungicide |
| FDBD03267 | sultropen |
|
Fungicide | Fungicide |
16 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4odf_ligand_2_30.mol2 | 4odf | 1 | -5.15 | CC[S](O)O | 5 |
| 4mbf_ligand_1_5.mol2 | 4mbf | 1 | -5.10 | C(C)[S](O)O | 5 |
| 4ogt_ligand_2_30.mol2 | 4ogt | 1 | -5.09 | C([S](O)O)C | 5 |
| 1d6w_ligand_2_19.mol2 | 1d6w | 1 | -5.08 | CC[S](O)O | 5 |
| 1d9i_ligand_2_19.mol2 | 1d9i | 1 | -5.08 | C([S](O)O)C | 5 |
| 4ogn_ligand_2_30.mol2 | 4ogn | 1 | -5.06 | CC[S](O)O | 5 |
| 4f7v_ligand_2_18.mol2 | 4f7v | 1 | -5.00 | C(C)[S](O)O | 5 |
| 4ogv_ligand_2_22.mol2 | 4ogv | 1 | -4.99 | C([S](O)O)C | 5 |
228 ,
23
