About 3,6-dibromothieno[3,2-b]thiophene
3,6-dibromothieno[3,2-b]thiophene (PubChem CID 10613979) has the molecular formula C6H2Br2S2
and a molecular weight of 298.02 g/mol. Its IUPAC name is 3,6-dibromothieno[3,2-b]thiophene.
Molecular Properties
| Compound Name | 3,6-dibromothieno[3,2-b]thiophene |
|---|
| PubChem CID | 10613979 |
|---|
| Molecular Formula | C6H2Br2S2 |
|---|
| Molecular Weight | 298.02 g/mol |
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| Exact Mass | 295.80 |
|---|
| IUPAC Name | 3,6-dibromothieno[3,2-b]thiophene |
|---|
| SMILES | Brc1csc2c(Br)csc12 |
|---|
| InChI | InChI=1S/C6H2Br2S2/c7-3-1-9-6-4(8)2-10-5(3)6/h1-2H |
|---|
| InChIKey | DFMPVYZMICAYCS-UHFFFAOYSA-N |
|---|
| XLogP | 4.49 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 10 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 298.02 |
| LogP ≤ 5 | 4.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 3,6-dibromothieno[3,2-b]thiophene?
The IUPAC name of 3,6-dibromothieno[3,2-b]thiophene (CID 10613979) is 3,6-dibromothieno[3,2-b]thiophene.
What is the SMILES notation for 3,6-dibromothieno[3,2-b]thiophene?
The canonical SMILES for 3,6-dibromothieno[3,2-b]thiophene is Brc1csc2c(Br)csc12.
What is the InChIKey of 3,6-dibromothieno[3,2-b]thiophene?
The InChIKey is DFMPVYZMICAYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2S2/c7-3-1-9-6-4(8)2-10-5(3)6/h1-2H.
What are the key properties of 3,6-dibromothieno[3,2-b]thiophene?
3,6-dibromothieno[3,2-b]thiophene has a molecular weight of 298.02 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromothieno[3,2-b]thiophene is sourced from PubChem (CID 10613979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).