C12H11Br2ClN2S — CID 105299354
[1-(3-bromo-2-chlorophenyl)-2-(4-bromothiophen-2-yl)ethyl]hydrazine (PubChem CID 105299354) has the molecular formula C12H11Br2ClN2S and a molecular weight of 410.56 g/mol. Its IUPAC name is [1-(3-bromo-2-chlorophenyl)-2-(4-bromothiophen-2-yl)ethyl]hydrazine.
| Compound Name | [1-(3-bromo-2-chlorophenyl)-2-(4-bromothiophen-2-yl)ethyl]hydrazine |
|---|---|
| PubChem CID | 105299354 |
| Molecular Formula | C12H11Br2ClN2S |
| Molecular Weight | 410.56 g/mol |
| Exact Mass | 407.87 |
| IUPAC Name | [1-(3-bromo-2-chlorophenyl)-2-(4-bromothiophen-2-yl)ethyl]hydrazine |
| SMILES | NNC(Cc1cc(Br)cs1)c1cccc(Br)c1Cl |
| InChI | InChI=1S/C12H11Br2ClN2S/c13-7-4-8(18-6-7)5-11(17-16)9-2-1-3-10(14)12(9)15/h1-4,6,11,17H,5,16H2 |
| InChIKey | MHDQYVRNVHGBJP-UHFFFAOYSA-N |
| XLogP | 4.67 |
| TPSA | 38.05 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 18 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 410.56 |
| LogP ≤ 5 | 4.67 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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