Common name
2-(dimethylamino)ethanethiol
IUPAC name
2-(dimethylamino)ethanethiol
SMILES
N(C)(C)CCS
Common name
2-(dimethylamino)ethanethiol
IUPAC name
2-(dimethylamino)ethanethiol
SMILES
N(C)(C)CCS
INCHI
InChI=1S/C4H11NS/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
FORMULA
C4H11NS
Common name
2-(dimethylamino)ethanethiol
IUPAC name
2-(dimethylamino)ethanethiol
Molecular weight
105.202
clogP
0.124
clogS
-0.840
Frequency
0.0010
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
42.04
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01625 | Captodiame |
|
Nervous System; Anxiolytics; Psycholeptics; Diphenylmethane Derivatives; | Captodiame is indicated for the treatment of anxiety. |
| FDBD02030 | bensultap |
|
Insecticide | Insecticide |
| FDBD02034 | thiosultap |
|
Insecticide | Insecticide |
3 ,
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
