2-iodo-3-thiophen-3-ylthiophene

C8H5IS2 — CID 90185098

IUPAC2-iodo-3-thiophen-3-ylthiophene
SMILESIc1sccc1-c1ccsc1
InChIInChI=1S/C8H5IS2/c9-8-7(2-4-11-8)6-1-3-10-5-6/h1-5H
InChIKeyINKYDLXFMBMTIW-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.08
Rot. Bonds1

About 2-iodo-3-thiophen-3-ylthiophene

2-iodo-3-thiophen-3-ylthiophene (PubChem CID 90185098) has the molecular formula C8H5IS2 and a molecular weight of 292.17 g/mol. Its IUPAC name is 2-iodo-3-thiophen-3-ylthiophene.

Molecular Properties

Compound Name2-iodo-3-thiophen-3-ylthiophene
PubChem CID90185098
Molecular FormulaC8H5IS2
Molecular Weight292.17 g/mol
Exact Mass291.89
IUPAC Name2-iodo-3-thiophen-3-ylthiophene
SMILESIc1sccc1-c1ccsc1
InChIInChI=1S/C8H5IS2/c9-8-7(2-4-11-8)6-1-3-10-5-6/h1-5H
InChIKeyINKYDLXFMBMTIW-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.08
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-3-thiophen-3-ylthiophene?
The IUPAC name of 2-iodo-3-thiophen-3-ylthiophene (CID 90185098) is 2-iodo-3-thiophen-3-ylthiophene.
What is the SMILES notation for 2-iodo-3-thiophen-3-ylthiophene?
The canonical SMILES for 2-iodo-3-thiophen-3-ylthiophene is Ic1sccc1-c1ccsc1.
What is the InChIKey of 2-iodo-3-thiophen-3-ylthiophene?
The InChIKey is INKYDLXFMBMTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IS2/c9-8-7(2-4-11-8)6-1-3-10-5-6/h1-5H.
What are the key properties of 2-iodo-3-thiophen-3-ylthiophene?
2-iodo-3-thiophen-3-ylthiophene has a molecular weight of 292.17 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-thiophen-3-ylthiophene is sourced from PubChem (CID 90185098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).