About 2-bromo-4-methylthieno[3,2-b]pyrrole
2-bromo-4-methylthieno[3,2-b]pyrrole (PubChem CID 67130548) has the molecular formula C7H6BrNS
and a molecular weight of 216.10 g/mol. Its IUPAC name is 2-bromo-4-methylthieno[3,2-b]pyrrole.
Molecular Properties
| Compound Name | 2-bromo-4-methylthieno[3,2-b]pyrrole |
|---|
| PubChem CID | 67130548 |
|---|
| Molecular Formula | C7H6BrNS |
|---|
| Molecular Weight | 216.10 g/mol |
|---|
| Exact Mass | 214.94 |
|---|
| IUPAC Name | 2-bromo-4-methylthieno[3,2-b]pyrrole |
|---|
| SMILES | Cn1ccc2sc(Br)cc21 |
|---|
| InChI | InChI=1S/C7H6BrNS/c1-9-3-2-6-5(9)4-7(8)10-6/h2-4H,1H3 |
|---|
| InChIKey | ZZRZHWBWNMSHQU-UHFFFAOYSA-N |
|---|
| XLogP | 3.00 |
|---|
| TPSA | 4.93 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 10 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 216.10 |
| LogP ≤ 5 | 3.00 |
| 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-4-methylthieno[3,2-b]pyrrole?
The IUPAC name of 2-bromo-4-methylthieno[3,2-b]pyrrole (CID 67130548) is 2-bromo-4-methylthieno[3,2-b]pyrrole.
What is the SMILES notation for 2-bromo-4-methylthieno[3,2-b]pyrrole?
The canonical SMILES for 2-bromo-4-methylthieno[3,2-b]pyrrole is Cn1ccc2sc(Br)cc21.
What is the InChIKey of 2-bromo-4-methylthieno[3,2-b]pyrrole?
The InChIKey is ZZRZHWBWNMSHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNS/c1-9-3-2-6-5(9)4-7(8)10-6/h2-4H,1H3.
What are the key properties of 2-bromo-4-methylthieno[3,2-b]pyrrole?
2-bromo-4-methylthieno[3,2-b]pyrrole has a molecular weight of 216.10 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methylthieno[3,2-b]pyrrole is sourced from PubChem (CID 67130548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).