4-bromo-2-(4-bromothiophen-2-yl)thiophene

C8H4Br2S2 — CID 716032

IUPAC4-bromo-2-(4-bromothiophen-2-yl)thiophene
SMILESBrc1csc(-c2cc(Br)cs2)c1
InChIInChI=1S/C8H4Br2S2/c9-5-1-7(11-3-5)8-2-6(10)4-12-8/h1-4H
InChIKeyKITUXFRDWJKACE-UHFFFAOYSA-N
MW324.06 g/mol
LogP5.00
Rot. Bonds1

About 4-bromo-2-(4-bromothiophen-2-yl)thiophene

4-bromo-2-(4-bromothiophen-2-yl)thiophene (PubChem CID 716032) has the molecular formula C8H4Br2S2 and a molecular weight of 324.06 g/mol. Its IUPAC name is 4-bromo-2-(4-bromothiophen-2-yl)thiophene.

Molecular Properties

Compound Name4-bromo-2-(4-bromothiophen-2-yl)thiophene
PubChem CID716032
Molecular FormulaC8H4Br2S2
Molecular Weight324.06 g/mol
Exact Mass321.81
IUPAC Name4-bromo-2-(4-bromothiophen-2-yl)thiophene
SMILESBrc1csc(-c2cc(Br)cs2)c1
InChIInChI=1S/C8H4Br2S2/c9-5-1-7(11-3-5)8-2-6(10)4-12-8/h1-4H
InChIKeyKITUXFRDWJKACE-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.06
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-bromothiophen-2-yl)thiophene?
The IUPAC name of 4-bromo-2-(4-bromothiophen-2-yl)thiophene (CID 716032) is 4-bromo-2-(4-bromothiophen-2-yl)thiophene.
What is the SMILES notation for 4-bromo-2-(4-bromothiophen-2-yl)thiophene?
The canonical SMILES for 4-bromo-2-(4-bromothiophen-2-yl)thiophene is Brc1csc(-c2cc(Br)cs2)c1.
What is the InChIKey of 4-bromo-2-(4-bromothiophen-2-yl)thiophene?
The InChIKey is KITUXFRDWJKACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2S2/c9-5-1-7(11-3-5)8-2-6(10)4-12-8/h1-4H.
What are the key properties of 4-bromo-2-(4-bromothiophen-2-yl)thiophene?
4-bromo-2-(4-bromothiophen-2-yl)thiophene has a molecular weight of 324.06 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-bromothiophen-2-yl)thiophene is sourced from PubChem (CID 716032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).