C9H17N3S — CID 105254260
[2-ethyl-1-(1,3-thiazol-4-yl)butyl]hydrazine (PubChem CID 105254260) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is [2-ethyl-1-(1,3-thiazol-4-yl)butyl]hydrazine.
| Compound Name | [2-ethyl-1-(1,3-thiazol-4-yl)butyl]hydrazine |
|---|---|
| PubChem CID | 105254260 |
| Molecular Formula | C9H17N3S |
| Molecular Weight | 199.32 g/mol |
| Exact Mass | 199.11 |
| IUPAC Name | [2-ethyl-1-(1,3-thiazol-4-yl)butyl]hydrazine |
| SMILES | CCC(CC)C(NN)c1cscn1 |
| InChI | InChI=1S/C9H17N3S/c1-3-7(4-2)9(12-10)8-5-13-6-11-8/h5-7,9,12H,3-4,10H2,1-2H3 |
| InChIKey | INNIJQLNLTWCKL-UHFFFAOYSA-N |
| XLogP | 2.08 |
| TPSA | 50.94 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 13 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 199.32 |
| LogP ≤ 5 | 2.08 |
| 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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