About 2-bromo-5-(2-methoxyethyl)thiophene
2-bromo-5-(2-methoxyethyl)thiophene (PubChem CID 59332759) has the molecular formula C7H9BrOS
and a molecular weight of 221.12 g/mol. Its IUPAC name is 2-bromo-5-(2-methoxyethyl)thiophene.
Molecular Properties
| Compound Name | 2-bromo-5-(2-methoxyethyl)thiophene |
|---|
| PubChem CID | 59332759 |
|---|
| Molecular Formula | C7H9BrOS |
|---|
| Molecular Weight | 221.12 g/mol |
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| Exact Mass | 219.96 |
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| IUPAC Name | 2-bromo-5-(2-methoxyethyl)thiophene |
|---|
| SMILES | COCCc1ccc(Br)s1 |
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| InChI | InChI=1S/C7H9BrOS/c1-9-5-4-6-2-3-7(8)10-6/h2-3H,4-5H2,1H3 |
|---|
| InChIKey | CUAWUGTZOFTTOE-UHFFFAOYSA-N |
|---|
| XLogP | 2.70 |
|---|
| TPSA | 9.23 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 3 |
|---|
| Heavy Atoms | 10 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 221.12 |
| LogP ≤ 5 | 2.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-bromo-5-(2-methoxyethyl)thiophene?
The IUPAC name of 2-bromo-5-(2-methoxyethyl)thiophene (CID 59332759) is 2-bromo-5-(2-methoxyethyl)thiophene.
What is the SMILES notation for 2-bromo-5-(2-methoxyethyl)thiophene?
The canonical SMILES for 2-bromo-5-(2-methoxyethyl)thiophene is COCCc1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-(2-methoxyethyl)thiophene?
The InChIKey is CUAWUGTZOFTTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrOS/c1-9-5-4-6-2-3-7(8)10-6/h2-3H,4-5H2,1H3.
What are the key properties of 2-bromo-5-(2-methoxyethyl)thiophene?
2-bromo-5-(2-methoxyethyl)thiophene has a molecular weight of 221.12 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-methoxyethyl)thiophene is sourced from PubChem (CID 59332759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).