C13H14Cl2N2S — CID 107970084
[(2,5-dichlorothiophen-3-yl)-(3,5-dimethylphenyl)methyl]hydrazine (PubChem CID 107970084) has the molecular formula C13H14Cl2N2S and a molecular weight of 301.24 g/mol. Its IUPAC name is [(2,5-dichlorothiophen-3-yl)-(3,5-dimethylphenyl)methyl]hydrazine.
| Compound Name | [(2,5-dichlorothiophen-3-yl)-(3,5-dimethylphenyl)methyl]hydrazine |
|---|---|
| PubChem CID | 107970084 |
| Molecular Formula | C13H14Cl2N2S |
| Molecular Weight | 301.24 g/mol |
| Exact Mass | 300.03 |
| IUPAC Name | [(2,5-dichlorothiophen-3-yl)-(3,5-dimethylphenyl)methyl]hydrazine |
| SMILES | Cc1cc(C)cc(C(NN)c2cc(Cl)sc2Cl)c1 |
| InChI | InChI=1S/C13H14Cl2N2S/c1-7-3-8(2)5-9(4-7)12(17-16)10-6-11(14)18-13(10)15/h3-6,12,17H,16H2,1-2H3 |
| InChIKey | FNAUIDOSCRWUDK-UHFFFAOYSA-N |
| XLogP | 4.22 |
| TPSA | 38.05 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 18 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 301.24 |
| LogP ≤ 5 | 4.22 |
| 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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