2-iodo-5-(5-iodothiophen-2-yl)thiophene

C8H4I2S2 — CID 642337

IUPAC2-iodo-5-(5-iodothiophen-2-yl)thiophene
SMILESIc1ccc(-c2ccc(I)s2)s1
InChIInChI=1S/C8H4I2S2/c9-7-3-1-5(11-7)6-2-4-8(10)12-6/h1-4H
InChIKeyQUQPGKLCKMUWCP-UHFFFAOYSA-N
MW418.06 g/mol
LogP4.69
Rot. Bonds1

About 2-iodo-5-(5-iodothiophen-2-yl)thiophene

2-iodo-5-(5-iodothiophen-2-yl)thiophene (PubChem CID 642337) has the molecular formula C8H4I2S2 and a molecular weight of 418.06 g/mol. Its IUPAC name is 2-iodo-5-(5-iodothiophen-2-yl)thiophene.

Molecular Properties

Compound Name2-iodo-5-(5-iodothiophen-2-yl)thiophene
PubChem CID642337
Molecular FormulaC8H4I2S2
Molecular Weight418.06 g/mol
Exact Mass417.78
IUPAC Name2-iodo-5-(5-iodothiophen-2-yl)thiophene
SMILESIc1ccc(-c2ccc(I)s2)s1
InChIInChI=1S/C8H4I2S2/c9-7-3-1-5(11-7)6-2-4-8(10)12-6/h1-4H
InChIKeyQUQPGKLCKMUWCP-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.06
LogP ≤ 54.69
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-iodo-5-(5-iodothiophen-2-yl)thiophene?
The IUPAC name of 2-iodo-5-(5-iodothiophen-2-yl)thiophene (CID 642337) is 2-iodo-5-(5-iodothiophen-2-yl)thiophene.
What is the SMILES notation for 2-iodo-5-(5-iodothiophen-2-yl)thiophene?
The canonical SMILES for 2-iodo-5-(5-iodothiophen-2-yl)thiophene is Ic1ccc(-c2ccc(I)s2)s1.
What is the InChIKey of 2-iodo-5-(5-iodothiophen-2-yl)thiophene?
The InChIKey is QUQPGKLCKMUWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4I2S2/c9-7-3-1-5(11-7)6-2-4-8(10)12-6/h1-4H.
What are the key properties of 2-iodo-5-(5-iodothiophen-2-yl)thiophene?
2-iodo-5-(5-iodothiophen-2-yl)thiophene has a molecular weight of 418.06 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-(5-iodothiophen-2-yl)thiophene is sourced from PubChem (CID 642337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).