2,5-dibromo-3,4-di(thiophen-3-yl)thiophene

C12H6Br2S3 — CID 141088611

IUPAC2,5-dibromo-3,4-di(thiophen-3-yl)thiophene
SMILESBrc1sc(Br)c(-c2ccsc2)c1-c1ccsc1
InChIInChI=1S/C12H6Br2S3/c13-11-9(7-1-3-15-5-7)10(12(14)17-11)8-2-4-16-6-8/h1-6H
InChIKeyAWGHPTLGAADXMQ-UHFFFAOYSA-N
MW406.19 g/mol
LogP6.73
Rot. Bonds2

About 2,5-dibromo-3,4-di(thiophen-3-yl)thiophene

2,5-dibromo-3,4-di(thiophen-3-yl)thiophene (PubChem CID 141088611) has the molecular formula C12H6Br2S3 and a molecular weight of 406.19 g/mol. Its IUPAC name is 2,5-dibromo-3,4-di(thiophen-3-yl)thiophene.

Molecular Properties

Compound Name2,5-dibromo-3,4-di(thiophen-3-yl)thiophene
PubChem CID141088611
Molecular FormulaC12H6Br2S3
Molecular Weight406.19 g/mol
Exact Mass403.80
IUPAC Name2,5-dibromo-3,4-di(thiophen-3-yl)thiophene
SMILESBrc1sc(Br)c(-c2ccsc2)c1-c1ccsc1
InChIInChI=1S/C12H6Br2S3/c13-11-9(7-1-3-15-5-7)10(12(14)17-11)8-2-4-16-6-8/h1-6H
InChIKeyAWGHPTLGAADXMQ-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.19
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3,4-di(thiophen-3-yl)thiophene?
The IUPAC name of 2,5-dibromo-3,4-di(thiophen-3-yl)thiophene (CID 141088611) is 2,5-dibromo-3,4-di(thiophen-3-yl)thiophene.
What is the SMILES notation for 2,5-dibromo-3,4-di(thiophen-3-yl)thiophene?
The canonical SMILES for 2,5-dibromo-3,4-di(thiophen-3-yl)thiophene is Brc1sc(Br)c(-c2ccsc2)c1-c1ccsc1.
What is the InChIKey of 2,5-dibromo-3,4-di(thiophen-3-yl)thiophene?
The InChIKey is AWGHPTLGAADXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2S3/c13-11-9(7-1-3-15-5-7)10(12(14)17-11)8-2-4-16-6-8/h1-6H.
What are the key properties of 2,5-dibromo-3,4-di(thiophen-3-yl)thiophene?
2,5-dibromo-3,4-di(thiophen-3-yl)thiophene has a molecular weight of 406.19 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3,4-di(thiophen-3-yl)thiophene is sourced from PubChem (CID 141088611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).