Common name
methylsulfanylbenzene
IUPAC name
methylsulfanylbenzene
SMILES
c1(ccccc1)SC
Common name
methylsulfanylbenzene
IUPAC name
methylsulfanylbenzene
SMILES
c1(ccccc1)SC
INCHI
InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
FORMULA
C7H8S
Common name
methylsulfanylbenzene
IUPAC name
methylsulfanylbenzene
Molecular weight
124.203
clogP
2.451
clogS
-2.094
Frequency
0.0017
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
25.3
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00108 | Nelfinavir |
|
Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Used in combination with other antiviral drugs in the treatment of HIV in both adults and children. |
| FDBD01341 | Enoximone |
|
Phosphodiesterase Inhibitors; Cardiotonic Agents; Phosphodiesterase 3 Inhibitors; Vasodilator Agents; Cardiovascular System; Cardiac Therapy; Cardiac Stimulants Excl. Cardiac Glycosides; | For the treatment of congestive heart failure. |
| FDBD01625 | Captodiame |
|
Nervous System; Anxiolytics; Psycholeptics; Diphenylmethane Derivatives; | Captodiame is indicated for the treatment of anxiety. |
| FDBD02073 | propaphos |
|
Insecticide | Insecticide |
| FDBD02190 | sulprofos |
|
Insecticide | Insecticide |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q64_ligand_2_43.mol2 | 2q64 | 1 | -6.37 | c1(ccccc1)SC | 8 |
| 2r5q_ligand_2_43.mol2 | 2r5q | 1 | -6.37 | CSc1ccccc1 | 8 |
| 4ieh_ligand_2_50.mol2 | 4ieh | 1 | -6.37 | CSc1ccccc1 | 8 |
| 2pyn_ligand_2_43.mol2 | 2pyn | 1 | -6.33 | S(c1ccccc1)C | 8 |
102 ,
11
