C13H14Cl2N2OS — CID 105297539
[2-(5-chloro-2-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine (PubChem CID 105297539) has the molecular formula C13H14Cl2N2OS and a molecular weight of 317.24 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine.
| Compound Name | [2-(5-chloro-2-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine |
|---|---|
| PubChem CID | 105297539 |
| Molecular Formula | C13H14Cl2N2OS |
| Molecular Weight | 317.24 g/mol |
| Exact Mass | 316.02 |
| IUPAC Name | [2-(5-chloro-2-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine |
| SMILES | COc1ccc(Cl)cc1CC(NN)c1sccc1Cl |
| InChI | InChI=1S/C13H14Cl2N2OS/c1-18-12-3-2-9(14)6-8(12)7-11(17-16)13-10(15)4-5-19-13/h2-6,11,17H,7,16H2,1H3 |
| InChIKey | AQBZCUYKYYFVRQ-UHFFFAOYSA-N |
| XLogP | 3.81 |
| TPSA | 47.28 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 19 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 317.24 |
| LogP ≤ 5 | 3.81 |
| 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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