3,6-dibromo-2,5-diiodothieno[3,2-b]thiophene

C6Br2I2S2 — CID 102457308

IUPAC3,6-dibromo-2,5-diiodothieno[3,2-b]thiophene
SMILESBrc1c(I)sc2c(Br)c(I)sc12
InChIInChI=1S/C6Br2I2S2/c7-1-3-4(12-5(1)9)2(8)6(10)11-3
InChIKeyOIPAAZJRYRWJGL-UHFFFAOYSA-N
MW549.82 g/mol
LogP5.70
Rot. Bonds

About 3,6-dibromo-2,5-diiodothieno[3,2-b]thiophene

3,6-dibromo-2,5-diiodothieno[3,2-b]thiophene (PubChem CID 102457308) has the molecular formula C6Br2I2S2 and a molecular weight of 549.82 g/mol. Its IUPAC name is 3,6-dibromo-2,5-diiodothieno[3,2-b]thiophene.

Molecular Properties

Compound Name3,6-dibromo-2,5-diiodothieno[3,2-b]thiophene
PubChem CID102457308
Molecular FormulaC6Br2I2S2
Molecular Weight549.82 g/mol
Exact Mass547.59
IUPAC Name3,6-dibromo-2,5-diiodothieno[3,2-b]thiophene
SMILESBrc1c(I)sc2c(Br)c(I)sc12
InChIInChI=1S/C6Br2I2S2/c7-1-3-4(12-5(1)9)2(8)6(10)11-3
InChIKeyOIPAAZJRYRWJGL-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.82
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-2,5-diiodothieno[3,2-b]thiophene?
The IUPAC name of 3,6-dibromo-2,5-diiodothieno[3,2-b]thiophene (CID 102457308) is 3,6-dibromo-2,5-diiodothieno[3,2-b]thiophene.
What is the SMILES notation for 3,6-dibromo-2,5-diiodothieno[3,2-b]thiophene?
The canonical SMILES for 3,6-dibromo-2,5-diiodothieno[3,2-b]thiophene is Brc1c(I)sc2c(Br)c(I)sc12.
What is the InChIKey of 3,6-dibromo-2,5-diiodothieno[3,2-b]thiophene?
The InChIKey is OIPAAZJRYRWJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Br2I2S2/c7-1-3-4(12-5(1)9)2(8)6(10)11-3.
What are the key properties of 3,6-dibromo-2,5-diiodothieno[3,2-b]thiophene?
3,6-dibromo-2,5-diiodothieno[3,2-b]thiophene has a molecular weight of 549.82 g/mol, XLogP of 5.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-2,5-diiodothieno[3,2-b]thiophene is sourced from PubChem (CID 102457308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).