5-iodothieno[3,2-b]thiophene

C6H3IS2 — CID 15272127

IUPAC5-iodothieno[3,2-b]thiophene
SMILESIc1cc2sccc2s1
InChIInChI=1S/C6H3IS2/c7-6-3-5-4(9-6)1-2-8-5/h1-3H
InChIKeyRNOHFEQNOLLHMD-UHFFFAOYSA-N
MW266.13 g/mol
LogP3.57
Rot. Bonds

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

5-iodothieno[3,2-b]thiophene (PubChem CID 15272127) has the molecular formula C6H3IS2 and a molecular weight of 266.13 g/mol. Its IUPAC name is 5-iodothieno[3,2-b]thiophene.

Molecular Properties

Compound Name5-iodothieno[3,2-b]thiophene
PubChem CID15272127
Molecular FormulaC6H3IS2
Molecular Weight266.13 g/mol
Exact Mass265.87
IUPAC Name5-iodothieno[3,2-b]thiophene
SMILESIc1cc2sccc2s1
InChIInChI=1S/C6H3IS2/c7-6-3-5-4(9-6)1-2-8-5/h1-3H
InChIKeyRNOHFEQNOLLHMD-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 53.57
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 5-iodothieno[3,2-b]thiophene?
The IUPAC name of 5-iodothieno[3,2-b]thiophene (CID 15272127) is 5-iodothieno[3,2-b]thiophene.
What is the SMILES notation for 5-iodothieno[3,2-b]thiophene?
The canonical SMILES for 5-iodothieno[3,2-b]thiophene is Ic1cc2sccc2s1.
What is the InChIKey of 5-iodothieno[3,2-b]thiophene?
The InChIKey is RNOHFEQNOLLHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3IS2/c7-6-3-5-4(9-6)1-2-8-5/h1-3H.
What are the key properties of 5-iodothieno[3,2-b]thiophene?
5-iodothieno[3,2-b]thiophene has a molecular weight of 266.13 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodothieno[3,2-b]thiophene is sourced from PubChem (CID 15272127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).