2,3-dibromo-5-(4,5-dibromothiophen-2-yl)thiophene

C8H2Br4S2 — CID 2753184

IUPAC2,3-dibromo-5-(4,5-dibromothiophen-2-yl)thiophene
SMILESBrc1cc(-c2cc(Br)c(Br)s2)sc1Br
InChIInChI=1S/C8H2Br4S2/c9-3-1-5(13-7(3)11)6-2-4(10)8(12)14-6/h1-2H
InChIKeyBFEVWSRLCFSTRU-UHFFFAOYSA-N
MW481.85 g/mol
LogP6.53
Rot. Bonds1

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

2,3-dibromo-5-(4,5-dibromothiophen-2-yl)thiophene (PubChem CID 2753184) has the molecular formula C8H2Br4S2 and a molecular weight of 481.85 g/mol. Its IUPAC name is 2,3-dibromo-5-(4,5-dibromothiophen-2-yl)thiophene.

Molecular Properties

Compound Name2,3-dibromo-5-(4,5-dibromothiophen-2-yl)thiophene
PubChem CID2753184
Molecular FormulaC8H2Br4S2
Molecular Weight481.85 g/mol
Exact Mass477.63
IUPAC Name2,3-dibromo-5-(4,5-dibromothiophen-2-yl)thiophene
SMILESBrc1cc(-c2cc(Br)c(Br)s2)sc1Br
InChIInChI=1S/C8H2Br4S2/c9-3-1-5(13-7(3)11)6-2-4(10)8(12)14-6/h1-2H
InChIKeyBFEVWSRLCFSTRU-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.85
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-(4,5-dibromothiophen-2-yl)thiophene?
The IUPAC name of 2,3-dibromo-5-(4,5-dibromothiophen-2-yl)thiophene (CID 2753184) is 2,3-dibromo-5-(4,5-dibromothiophen-2-yl)thiophene.
What is the SMILES notation for 2,3-dibromo-5-(4,5-dibromothiophen-2-yl)thiophene?
The canonical SMILES for 2,3-dibromo-5-(4,5-dibromothiophen-2-yl)thiophene is Brc1cc(-c2cc(Br)c(Br)s2)sc1Br.
What is the InChIKey of 2,3-dibromo-5-(4,5-dibromothiophen-2-yl)thiophene?
The InChIKey is BFEVWSRLCFSTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Br4S2/c9-3-1-5(13-7(3)11)6-2-4(10)8(12)14-6/h1-2H.
What are the key properties of 2,3-dibromo-5-(4,5-dibromothiophen-2-yl)thiophene?
2,3-dibromo-5-(4,5-dibromothiophen-2-yl)thiophene has a molecular weight of 481.85 g/mol, XLogP of 6.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-(4,5-dibromothiophen-2-yl)thiophene is sourced from PubChem (CID 2753184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).