2-bromo-5-thiophen-2-ylthiophene

C8H5BrS2 — CID 640065

IUPAC2-bromo-5-thiophen-2-ylthiophene
SMILESBrc1ccc(-c2cccs2)s1
InChIInChI=1S/C8H5BrS2/c9-8-4-3-7(11-8)6-2-1-5-10-6/h1-5H
InChIKeyOMOAIGVIYUXYAU-UHFFFAOYSA-N
MW245.17 g/mol
LogP4.24
Rot. Bonds1

About 2-bromo-5-thiophen-2-ylthiophene

2-bromo-5-thiophen-2-ylthiophene (PubChem CID 640065) has the molecular formula C8H5BrS2 and a molecular weight of 245.17 g/mol. Its IUPAC name is 2-bromo-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-bromo-5-thiophen-2-ylthiophene
PubChem CID640065
Molecular FormulaC8H5BrS2
Molecular Weight245.17 g/mol
Exact Mass243.90
IUPAC Name2-bromo-5-thiophen-2-ylthiophene
SMILESBrc1ccc(-c2cccs2)s1
InChIInChI=1S/C8H5BrS2/c9-8-4-3-7(11-8)6-2-1-5-10-6/h1-5H
InChIKeyOMOAIGVIYUXYAU-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-thiophen-2-ylthiophene?
The IUPAC name of 2-bromo-5-thiophen-2-ylthiophene (CID 640065) is 2-bromo-5-thiophen-2-ylthiophene.
What is the SMILES notation for 2-bromo-5-thiophen-2-ylthiophene?
The canonical SMILES for 2-bromo-5-thiophen-2-ylthiophene is Brc1ccc(-c2cccs2)s1.
What is the InChIKey of 2-bromo-5-thiophen-2-ylthiophene?
The InChIKey is OMOAIGVIYUXYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrS2/c9-8-4-3-7(11-8)6-2-1-5-10-6/h1-5H.
What are the key properties of 2-bromo-5-thiophen-2-ylthiophene?
2-bromo-5-thiophen-2-ylthiophene has a molecular weight of 245.17 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-thiophen-2-ylthiophene is sourced from PubChem (CID 640065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).