Common name
phenylmethanethiol
IUPAC name
phenylmethanethiol
SMILES
SCc1ccccc1
Common name
phenylmethanethiol
IUPAC name
phenylmethanethiol
SMILES
SCc1ccccc1
INCHI
InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
FORMULA
C7H8S
Common name
phenylmethanethiol
IUPAC name
phenylmethanethiol
Molecular weight
124.203
clogP
2.502
clogS
-2.111
Frequency
0.0034
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
38.8
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00344 | Montelukast |
|
Anti-Asthmatic Agents; Anti-Arrhythmia Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Leukotriene Receptor Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of asthma. |
| FDBD00429 | Benzthiazide |
|
Stimulants; | For the treatment of high blood pressure and management of edema. |
| FDBD01625 | Captodiame |
|
Nervous System; Anxiolytics; Psycholeptics; Diphenylmethane Derivatives; | Captodiame is indicated for the treatment of anxiety. |
| FDBD01900 | ethiofencarb |
|
Insecticide | Insecticide |
| FDBD02078 | phenthoate |
|
Insecticide | Insecticide |
| FDBD02344 | pyridaben |
|
Insecticide | Insecticide |
| FDBD03167 | EBP |
|
Fungicide | Fungicide |
| FDBD03171 | inezin |
|
Fungicide | Fungicide |
| FDBD03172 | iprobenfos |
|
Fungicide | Fungicide |
| FDBD03189 | buthiobate |
|
Fungicide | Fungicide |
10 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ioc_ligand_2_5.mol2 | 3ioc | 1 | -6.75 | C(c1ccccc1)S | 8 |
| 2x2r_ligand_2_7.mol2 | 2x2r | 1 | -6.67 | c1(ccccc1)CS | 8 |
| 4bbg_ligand_2_7.mol2 | 4bbg | 1 | -6.61 | C(c1ccccc1)S | 8 |
| 2xae_ligand_2_11.mol2 | 2xae | 1 | -6.59 | c1ccccc1CS | 8 |
| 2x2r_ligand_2_0.mol2 | 2x2r | 1 | -6.57 | SCc1ccccc1 | 8 |
2651 ,
266
