C9H7Cl2N3S — CID 116892139
[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine (PubChem CID 116892139) has the molecular formula C9H7Cl2N3S and a molecular weight of 260.15 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine.
| Compound Name | [2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine |
|---|---|
| PubChem CID | 116892139 |
| Molecular Formula | C9H7Cl2N3S |
| Molecular Weight | 260.15 g/mol |
| Exact Mass | 258.97 |
| IUPAC Name | [2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine |
| SMILES | NNc1csc(-c2ccc(Cl)cc2Cl)n1 |
| InChI | InChI=1S/C9H7Cl2N3S/c10-5-1-2-6(7(11)3-5)9-13-8(14-12)4-15-9/h1-4,14H,12H2 |
| InChIKey | IKGKBQRLVIXYDE-UHFFFAOYSA-N |
| XLogP | 3.40 |
| TPSA | 50.94 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 15 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 260.15 |
| LogP ≤ 5 | 3.40 |
| 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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