C16H18N2OS — CID 105338360
[(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine (PubChem CID 105338360) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is [(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine.
| Compound Name | [(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine |
|---|---|
| PubChem CID | 105338360 |
| Molecular Formula | C16H18N2OS |
| Molecular Weight | 286.40 g/mol |
| Exact Mass | 286.11 |
| IUPAC Name | [(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine |
| SMILES | CCc1ccsc1C(NN)c1cc2cccc(C)c2o1 |
| InChI | InChI=1S/C16H18N2OS/c1-3-11-7-8-20-16(11)14(18-17)13-9-12-6-4-5-10(2)15(12)19-13/h4-9,14,18H,3,17H2,1-2H3 |
| InChIKey | CXGXWGOCFATYPS-UHFFFAOYSA-N |
| XLogP | 3.92 |
| TPSA | 51.19 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 20 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 286.40 |
| LogP ≤ 5 | 3.92 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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