Common name
2-(trimethyl-λ4-azanyl)ethanethiol
IUPAC name
2-(trimethyl-λ4-azanyl)ethanethiol
SMILES
C([N](C)(C)C)CS
Common name
2-(trimethyl-λ4-azanyl)ethanethiol
IUPAC name
2-(trimethyl-λ4-azanyl)ethanethiol
SMILES
C([N](C)(C)C)CS
INCHI
InChI=1S/C5H14NS/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3
FORMULA
C5H14NS
Common name
2-(trimethyl-λ4-azanyl)ethanethiol
IUPAC name
2-(trimethyl-λ4-azanyl)ethanethiol
Molecular weight
120.236
clogP
-2.239
clogS
-1.968
Frequency
0.0003
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
38.8
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00908 | Echothiophate |
|
Cholinesterase Inhibitors; Parasympathomimetics; Miotics; | For use in the treatment of subacute or chronic angle-closure glaucoma after iridectomy or where surgery is refused or contraindicated. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wxd_ligand_3_16.mol2 | 2wxd | 1 | -5.58 | [NH+](C)(C)CCS | 6 |
| 1c3i_ligand_2_0.mol2 | 1c3i | 1 | -5.30 | [NH2+](C)CCS | 5 |
| 4hj2_ligand_4_2254.mol2 | 4hj2 | 1 | -5.20 | SCC[NH2+]C | 5 |
| 1q65_ligand_3_9.mol2 | 1q65 | 1 | -5.13 | [NH+](C)(C)CCS | 6 |
| 4hj2_ligand_5_5936.mol2 | 4hj2 | 0.714286 | -5.16 | S(C)CC[NH2+]C | 6 |
| 1q65_ligand_4_4.mol2 | 1q65 | 0.714286 | -5.08 | [NH+](C)(C)CCSC | 7 |
| 4fcr_ligand_2_14.mol2 | 4fcr | 0.666667 | -5.51 | C(S)C(=O)N(C)C | 7 |
| 4hj2_ligand_4_2170.mol2 | 4hj2 | 0.538462 | -5.21 | CSCC[NH3+] | 5 |
599 ,
60
