Common name
2-(ethylamino)ethanethiol
IUPAC name
2-(ethylamino)ethanethiol
SMILES
SCCNCC
Common name
2-(ethylamino)ethanethiol
IUPAC name
2-(ethylamino)ethanethiol
SMILES
SCCNCC
INCHI
InChI=1S/C4H11NS/c1-2-5-3-4-6/h5-6H,2-4H2,1H3
FORMULA
C4H11NS
Common name
2-(ethylamino)ethanethiol
IUPAC name
2-(ethylamino)ethanethiol
Molecular weight
105.202
clogP
0.569
clogS
-1.573
Frequency
0.0007
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
50.83
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00991 | Amifostine |
|
Radiation-Protective Agents; Detoxifying Agents for Antineoplastic Treatment; | For reduction in the cumulative renal toxicity in patients with ovarian cancer (using cisplatin) and moderate to severe xerostomia in patients undergoing post-operative radiation treatment for head and neck cancer. |
| FDBD02081 | amiton |
|
Insecticide | Insecticide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wxd_ligand_3_16.mol2 | 2wxd | 0.833333 | -5.58 | [NH+](C)(C)CCS | 6 |
| 1c3i_ligand_2_0.mol2 | 1c3i | 0.833333 | -5.30 | [NH2+](C)CCS | 5 |
| 4hj2_ligand_4_2254.mol2 | 4hj2 | 0.833333 | -5.20 | SCC[NH2+]C | 5 |
| 1q65_ligand_3_9.mol2 | 1q65 | 0.833333 | -5.13 | [NH+](C)(C)CCS | 6 |
| 4hj2_ligand_5_5936.mol2 | 4hj2 | 0.625 | -5.16 | S(C)CC[NH2+]C | 6 |
| 1q65_ligand_4_4.mol2 | 1q65 | 0.625 | -5.08 | [NH+](C)(C)CCSC | 7 |
| 4fcr_ligand_2_14.mol2 | 4fcr | 0.588235 | -5.51 | C(S)C(=O)N(C)C | 7 |
| 1h8y_ligand_1_3.mol2 | 1h8y | 0.571429 | -5.33 | [C@@H]1(CC[NH2+]C1)S | 6 |
| 1jqe_ligand_4_125.mol2 | 1jqe | 0.5 | -6.44 | C(C)[NH+](CC)CC | 7 |
257 ,
26
