About 2,5-dibromoselenopheno[2,3-b]thiophene
2,5-dibromoselenopheno[2,3-b]thiophene (PubChem CID 12543644) has the molecular formula C6H2Br2SSe
and a molecular weight of 344.92 g/mol. Its IUPAC name is 2,5-dibromoselenopheno[2,3-b]thiophene.
Molecular Properties
| Compound Name | 2,5-dibromoselenopheno[2,3-b]thiophene |
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| PubChem CID | 12543644 |
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| Molecular Formula | C6H2Br2SSe |
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| Molecular Weight | 344.92 g/mol |
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| Exact Mass | 343.74 |
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| IUPAC Name | 2,5-dibromoselenopheno[2,3-b]thiophene |
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| SMILES | Brc1cc2cc(Br)[se]c2s1 |
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| InChI | InChI=1S/C6H2Br2SSe/c7-4-1-3-2-5(8)10-6(3)9-4/h1-2H |
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| InChIKey | IOMQLAKUMJZOHY-UHFFFAOYSA-N |
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| XLogP | 3.48 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 344.92 |
| LogP ≤ 5 | 3.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2,5-dibromoselenopheno[2,3-b]thiophene?
The IUPAC name of 2,5-dibromoselenopheno[2,3-b]thiophene (CID 12543644) is 2,5-dibromoselenopheno[2,3-b]thiophene.
What is the SMILES notation for 2,5-dibromoselenopheno[2,3-b]thiophene?
The canonical SMILES for 2,5-dibromoselenopheno[2,3-b]thiophene is Brc1cc2cc(Br)[se]c2s1.
What is the InChIKey of 2,5-dibromoselenopheno[2,3-b]thiophene?
The InChIKey is IOMQLAKUMJZOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2SSe/c7-4-1-3-2-5(8)10-6(3)9-4/h1-2H.
What are the key properties of 2,5-dibromoselenopheno[2,3-b]thiophene?
2,5-dibromoselenopheno[2,3-b]thiophene has a molecular weight of 344.92 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromoselenopheno[2,3-b]thiophene is sourced from PubChem (CID 12543644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).