2-{4-Nitrophenyl}-2-oxoethyl 1-piperidinecarbodithioate
[2-(4-nitrophenyl)-2-oxoethyl] piperidine-1-carbodithioate
Also Known As: CBMicro_018986|Oprea1_320765|Oprea1_680247|BAS 00633891|2-{4-nitrophenyl}-2-oxoethyl 1-piperidinecarbodithioate|BIM-0019160.P001|AG-205/36957038|J3.341.536B|[2-(4-nitrophenyl)-2-oxoethyl] piperidine-1-carbodithioate|SR-01000516972-1|2-(4-NITROPHENYL)-2-OXOETHYL PIPERIDINE-1-CARBODITHIOATE|Piperidine-1-carbodithioic acid 2-(4-nitrophenyl)-2-oxoethyl ester|Piperidine-1-carbodithioic acid 2-(4-nitro-phenyl)-2-oxo-ethyl ester|2-(4-NITROPHENYL)-2-OXOETHYL TETRAHYDRO-1(2H)-PYRIDINECARBODITHIOATE
| Molecular Formula | C14H16N2O3S2 |
|---|---|
| Molecular Weight | 324.06024 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.06024 |
| Monoisotopic Mass | 324.06024 |
| Heavy Atoms | 21 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 24372-63-2 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | YOUCMXSQVLFGCC-UHFFFAOYSA-N |
Product Overview
2-{4-Nitrophenyl}-2-oxoethyl 1-piperidinecarbodithioate (CAS 24372-63-2), with molecular formula C14H16N2O3S2 and molecular weight 324.06024 g/mol. IUPAC: [2-(4-nitrophenyl)-2-oxoethyl] piperidine-1-carbodithioate.