C9H11IN2OS — CID 102654366
[2,3-dihydrofuran-5-yl-(5-iodothiophen-3-yl)methyl]hydrazine (PubChem CID 102654366) has the molecular formula C9H11IN2OS and a molecular weight of 322.17 g/mol. Its IUPAC name is [2,3-dihydrofuran-5-yl-(5-iodothiophen-3-yl)methyl]hydrazine.
| Compound Name | [2,3-dihydrofuran-5-yl-(5-iodothiophen-3-yl)methyl]hydrazine |
|---|---|
| PubChem CID | 102654366 |
| Molecular Formula | C9H11IN2OS |
| Molecular Weight | 322.17 g/mol |
| Exact Mass | 321.96 |
| IUPAC Name | [2,3-dihydrofuran-5-yl-(5-iodothiophen-3-yl)methyl]hydrazine |
| SMILES | NNC(C1=CCCO1)c1csc(I)c1 |
| InChI | InChI=1S/C9H11IN2OS/c10-8-4-6(5-14-8)9(12-11)7-2-1-3-13-7/h2,4-5,9,12H,1,3,11H2 |
| InChIKey | BYLQGVPHOHNSET-UHFFFAOYSA-N |
| XLogP | 2.16 |
| TPSA | 47.28 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 14 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 322.17 |
| LogP ≤ 5 | 2.16 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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