I5I
2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
Find entries where: I5I
is present as a standalone ligand in 3 entries
Chemical Component Summary | |
|---|---|
| Name | 2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole |
| Synonyms | 2-(imidazolin-2-yl)-5-isothiocyanatobenzofuran |
| Identifiers | 2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole |
| Formula | C12 H9 N3 O S |
| Molecular Weight | 243.284 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1cc2c(cc1N=C=S)cc(o2)C3=NCCN3 |
| InChI | InChI=1S/C12H9N3OS/c17-7-15-9-1-2-10-8(5-9)6-11(16-10)12-13-3-4-14-12/h1-2,5-6H,3-4H2,(H,13,14) |
| InChIKey | RUDBUHTXVGVWTA-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 26 |
| Chiral Atom Count | 0 |
| Bond Count | 28 |
| Aromatic Bond Count | 10 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 10444453 |
| ChEMBL | CHEMBL1256146 |
