2,5-dibromo-3-butylthiophene

C8H10Br2S — CID 600361

IUPAC2,5-dibromo-3-butylthiophene
SMILESCCCCc1cc(Br)sc1Br
InChIInChI=1S/C8H10Br2S/c1-2-3-4-6-5-7(9)11-8(6)10/h5H,2-4H2,1H3
InChIKeyYRSQCQUZWSQKKU-UHFFFAOYSA-N
MW298.04 g/mol
LogP4.62
Rot. Bonds3

About 2,5-dibromo-3-butylthiophene

2,5-dibromo-3-butylthiophene (PubChem CID 600361) has the molecular formula C8H10Br2S and a molecular weight of 298.04 g/mol. Its IUPAC name is 2,5-dibromo-3-butylthiophene.

Molecular Properties

Compound Name2,5-dibromo-3-butylthiophene
PubChem CID600361
Molecular FormulaC8H10Br2S
Molecular Weight298.04 g/mol
Exact Mass295.89
IUPAC Name2,5-dibromo-3-butylthiophene
SMILESCCCCc1cc(Br)sc1Br
InChIInChI=1S/C8H10Br2S/c1-2-3-4-6-5-7(9)11-8(6)10/h5H,2-4H2,1H3
InChIKeyYRSQCQUZWSQKKU-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.04
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-butylthiophene?
The IUPAC name of 2,5-dibromo-3-butylthiophene (CID 600361) is 2,5-dibromo-3-butylthiophene.
What is the SMILES notation for 2,5-dibromo-3-butylthiophene?
The canonical SMILES for 2,5-dibromo-3-butylthiophene is CCCCc1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-3-butylthiophene?
The InChIKey is YRSQCQUZWSQKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2S/c1-2-3-4-6-5-7(9)11-8(6)10/h5H,2-4H2,1H3.
What are the key properties of 2,5-dibromo-3-butylthiophene?
2,5-dibromo-3-butylthiophene has a molecular weight of 298.04 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-butylthiophene is sourced from PubChem (CID 600361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).