Common name
[(2R)-tetrahydrofuran-2-yl]methanethiol
IUPAC name
[(2R)-tetrahydrofuran-2-yl]methanethiol
SMILES
SCC1OCCC1
Common name
[(2R)-tetrahydrofuran-2-yl]methanethiol
IUPAC name
[(2R)-tetrahydrofuran-2-yl]methanethiol
SMILES
SCC1OCCC1
INCHI
InChI=1S/C5H10OS/c7-4-5-2-1-3-6-5/h5,7H,1-4H2/t5-/m1/s1
FORMULA
C5H10OS
Common name
[(2R)-tetrahydrofuran-2-yl]methanethiol
IUPAC name
[(2R)-tetrahydrofuran-2-yl]methanethiol
Molecular weight
118.197
clogP
1.781
clogS
-0.962
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
48.03
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01596 | Fursultiamine |
|
Vitamin B Complex; |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5tmp_ligand_1_1.mol2 | 5tmp | 0.576923 | -6.19 | C[C@H]1OCCC1 | 6 |
| 5tmp_ligand_2_30.mol2 | 5tmp | 0.576923 | -6.19 | C[C@@H]1CCCO1 | 6 |
| 3au6_ligand_1_6.mol2 | 3au6 | 0.576923 | -5.85 | [C@@H]1(OCCC1)C | 6 |
| 5ali_ligand_1_5.mol2 | 5ali | 0.576923 | -5.63 | [C@H]1(CCCO1)C | 6 |
| 1qhc_ligand_1_10.mol2 | 1qhc | 0.576923 | -5.49 | [C@H]1(CCCO1)C | 6 |
| 2pt9_ligand_3_16.mol2 | 2pt9 | 0.565217 | -6.58 | [C@@H]1(OC[C@@H]([C@@H]1O)O)C[S](C)C | 11 |
109 ,
11
