C13H22N2OS — CID 103170881
[2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine (PubChem CID 103170881) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine.
| Compound Name | [2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine |
|---|---|
| PubChem CID | 103170881 |
| Molecular Formula | C13H22N2OS |
| Molecular Weight | 254.40 g/mol |
| Exact Mass | 254.15 |
| IUPAC Name | [2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine |
| SMILES | CCOC1CC(CC(NN)c2ccsc2C)C1 |
| InChI | InChI=1S/C13H22N2OS/c1-3-16-11-6-10(7-11)8-13(15-14)12-4-5-17-9(12)2/h4-5,10-11,13,15H,3,6-8,14H2,1-2H3 |
| InChIKey | TZBZMFNCAKAADD-UHFFFAOYSA-N |
| XLogP | 2.77 |
| TPSA | 47.28 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 17 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 254.40 |
| LogP ≤ 5 | 2.77 |
| 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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