2A2
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol
Find entries where: 2A2
as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
|---|---|
| Name | 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol |
| Identifiers | 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-sulfanyl-butan-1-one |
| Formula | C14 H19 Cl N2 O S |
| Molecular Weight | 298.831 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1cc(cc(c1)Cl)N2CCN(CC2)C(=O)CCCS |
| InChI | InChI=1S/C14H19ClN2OS/c15-12-3-1-4-13(11-12)16-6-8-17(9-7-16)14(18)5-2-10-19/h1,3-4,11,19H,2,5-10H2 |
| InChIKey | ZRDBMFDEDKLQCF-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 38 |
| Chiral Atom Count | 0 |
| Bond Count | 39 |
| Aromatic Bond Count | 6 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 50937462 |
