3-iodo-2-(3-iodothiophen-2-yl)thiophene

C8H4I2S2 — CID 4642851

IUPAC3-iodo-2-(3-iodothiophen-2-yl)thiophene
SMILESIc1ccsc1-c1sccc1I
InChIInChI=1S/C8H4I2S2/c9-5-1-3-11-7(5)8-6(10)2-4-12-8/h1-4H
InChIKeyJFSDWYZDRNATGQ-UHFFFAOYSA-N
MW418.06 g/mol
LogP4.69
Rot. Bonds1

About 3-iodo-2-(3-iodothiophen-2-yl)thiophene

3-iodo-2-(3-iodothiophen-2-yl)thiophene (PubChem CID 4642851) has the molecular formula C8H4I2S2 and a molecular weight of 418.06 g/mol. Its IUPAC name is 3-iodo-2-(3-iodothiophen-2-yl)thiophene.

Molecular Properties

Compound Name3-iodo-2-(3-iodothiophen-2-yl)thiophene
PubChem CID4642851
Molecular FormulaC8H4I2S2
Molecular Weight418.06 g/mol
Exact Mass417.78
IUPAC Name3-iodo-2-(3-iodothiophen-2-yl)thiophene
SMILESIc1ccsc1-c1sccc1I
InChIInChI=1S/C8H4I2S2/c9-5-1-3-11-7(5)8-6(10)2-4-12-8/h1-4H
InChIKeyJFSDWYZDRNATGQ-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 3-iodo-2-(3-iodothiophen-2-yl)thiophene?
The IUPAC name of 3-iodo-2-(3-iodothiophen-2-yl)thiophene (CID 4642851) is 3-iodo-2-(3-iodothiophen-2-yl)thiophene.
What is the SMILES notation for 3-iodo-2-(3-iodothiophen-2-yl)thiophene?
The canonical SMILES for 3-iodo-2-(3-iodothiophen-2-yl)thiophene is Ic1ccsc1-c1sccc1I.
What is the InChIKey of 3-iodo-2-(3-iodothiophen-2-yl)thiophene?
The InChIKey is JFSDWYZDRNATGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4I2S2/c9-5-1-3-11-7(5)8-6(10)2-4-12-8/h1-4H.
What are the key properties of 3-iodo-2-(3-iodothiophen-2-yl)thiophene?
3-iodo-2-(3-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 3-iodo-2-(3-iodothiophen-2-yl)thiophene is sourced from PubChem (CID 4642851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).