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

C6H2I2S2 — CID 23070263

IUPAC2,5-diiodothieno[2,3-b]thiophene
SMILESIc1cc2cc(I)sc2s1
InChIInChI=1S/C6H2I2S2/c7-4-1-3-2-5(8)10-6(3)9-4/h1-2H
InChIKeyOVBSPMXNGGGEJN-UHFFFAOYSA-N
MW392.02 g/mol
LogP4.17
Rot. Bonds

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

2,5-diiodothieno[2,3-b]thiophene (PubChem CID 23070263) has the molecular formula C6H2I2S2 and a molecular weight of 392.02 g/mol. Its IUPAC name is 2,5-diiodothieno[2,3-b]thiophene.

Molecular Properties

Compound Name2,5-diiodothieno[2,3-b]thiophene
PubChem CID23070263
Molecular FormulaC6H2I2S2
Molecular Weight392.02 g/mol
Exact Mass391.77
IUPAC Name2,5-diiodothieno[2,3-b]thiophene
SMILESIc1cc2cc(I)sc2s1
InChIInChI=1S/C6H2I2S2/c7-4-1-3-2-5(8)10-6(3)9-4/h1-2H
InChIKeyOVBSPMXNGGGEJN-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.02
LogP ≤ 54.17
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 2,5-diiodothieno[2,3-b]thiophene?
The IUPAC name of 2,5-diiodothieno[2,3-b]thiophene (CID 23070263) is 2,5-diiodothieno[2,3-b]thiophene.
What is the SMILES notation for 2,5-diiodothieno[2,3-b]thiophene?
The canonical SMILES for 2,5-diiodothieno[2,3-b]thiophene is Ic1cc2cc(I)sc2s1.
What is the InChIKey of 2,5-diiodothieno[2,3-b]thiophene?
The InChIKey is OVBSPMXNGGGEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2I2S2/c7-4-1-3-2-5(8)10-6(3)9-4/h1-2H.
What are the key properties of 2,5-diiodothieno[2,3-b]thiophene?
2,5-diiodothieno[2,3-b]thiophene has a molecular weight of 392.02 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diiodothieno[2,3-b]thiophene is sourced from PubChem (CID 23070263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).