3-bromo-4-(4-bromophenyl)thiophene

C10H6Br2S — CID 173139082

IUPAC3-bromo-4-(4-bromophenyl)thiophene
SMILESBrc1ccc(-c2cscc2Br)cc1
InChIInChI=1S/C10H6Br2S/c11-8-3-1-7(2-4-8)9-5-13-6-10(9)12/h1-6H
InChIKeyAMGZARGPNNDZNG-UHFFFAOYSA-N
MW318.03 g/mol
LogP4.94
Rot. Bonds1

About 3-bromo-4-(4-bromophenyl)thiophene

3-bromo-4-(4-bromophenyl)thiophene (PubChem CID 173139082) has the molecular formula C10H6Br2S and a molecular weight of 318.03 g/mol. Its IUPAC name is 3-bromo-4-(4-bromophenyl)thiophene.

Molecular Properties

Compound Name3-bromo-4-(4-bromophenyl)thiophene
PubChem CID173139082
Molecular FormulaC10H6Br2S
Molecular Weight318.03 g/mol
Exact Mass315.86
IUPAC Name3-bromo-4-(4-bromophenyl)thiophene
SMILESBrc1ccc(-c2cscc2Br)cc1
InChIInChI=1S/C10H6Br2S/c11-8-3-1-7(2-4-8)9-5-13-6-10(9)12/h1-6H
InChIKeyAMGZARGPNNDZNG-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.03
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-bromophenyl)thiophene?
The IUPAC name of 3-bromo-4-(4-bromophenyl)thiophene (CID 173139082) is 3-bromo-4-(4-bromophenyl)thiophene.
What is the SMILES notation for 3-bromo-4-(4-bromophenyl)thiophene?
The canonical SMILES for 3-bromo-4-(4-bromophenyl)thiophene is Brc1ccc(-c2cscc2Br)cc1.
What is the InChIKey of 3-bromo-4-(4-bromophenyl)thiophene?
The InChIKey is AMGZARGPNNDZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2S/c11-8-3-1-7(2-4-8)9-5-13-6-10(9)12/h1-6H.
What are the key properties of 3-bromo-4-(4-bromophenyl)thiophene?
3-bromo-4-(4-bromophenyl)thiophene has a molecular weight of 318.03 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-bromophenyl)thiophene is sourced from PubChem (CID 173139082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).