Common name
3-(dihydroxy-λ3-sulfanyl)-1,1,1-trifluoropropane
IUPAC name
3-(dihydroxy-λ3-sulfanyl)-1,1,1-trifluoropropane
SMILES
C(F)(F)(F)CC[S](O)O
Common name
3-(dihydroxy-λ3-sulfanyl)-1,1,1-trifluoropropane
IUPAC name
3-(dihydroxy-λ3-sulfanyl)-1,1,1-trifluoropropane
SMILES
C(F)(F)(F)CC[S](O)O
INCHI
InChI=1S/C3H6F3O2S/c4-3(5,6)1-2-9(7)8/h7-8H,1-2H2
FORMULA
C3H6F3O2S
Common name
3-(dihydroxy-λ3-sulfanyl)-1,1,1-trifluoropropane
IUPAC name
3-(dihydroxy-λ3-sulfanyl)-1,1,1-trifluoropropane
Molecular weight
163.139
clogP
-0.396
clogS
-0.531
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
40.46
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02333 | fluhexafon |
|
Insecticide | Insecticide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1exw_ligand_3_0.mol2 | 1exw | 0.611111 | -5.75 | C(C)C[S](O)O | 6 |
| 2hm1_ligand_3_12.mol2 | 2hm1 | 0.611111 | -5.45 | C(CC)[S](O)O | 6 |
| 2viy_ligand_3_357.mol2 | 2viy | 0.611111 | -5.35 | [S](O)(O)CCC | 6 |
| 1mem_ligand_3_164.mol2 | 1mem | 0.611111 | -5.34 | [S](O)(O)CCC | 6 |
| 3hd3_ligand_3_45.mol2 | 3hd3 | 0.611111 | -5.34 | C(CC)[S](O)O | 6 |
| 3bwk_ligand_3_170.mol2 | 3bwk | 0.611111 | -5.33 | CCC[S](O)O | 6 |
| 1npz_ligand_3_170.mol2 | 1npz | 0.611111 | -5.30 | CCC[S](O)O | 6 |
114 ,
12
