2,5-dibromo-3-ethylthiophene

C6H6Br2S — CID 14896125

IUPAC2,5-dibromo-3-ethylthiophene
SMILESCCc1cc(Br)sc1Br
InChIInChI=1S/C6H6Br2S/c1-2-4-3-5(7)9-6(4)8/h3H,2H2,1H3
InChIKeySEFOUDCWOOYMAQ-UHFFFAOYSA-N
MW269.99 g/mol
LogP3.84
Rot. Bonds1

About 2,5-dibromo-3-ethylthiophene

2,5-dibromo-3-ethylthiophene (PubChem CID 14896125) has the molecular formula C6H6Br2S and a molecular weight of 269.99 g/mol. Its IUPAC name is 2,5-dibromo-3-ethylthiophene.

Molecular Properties

Compound Name2,5-dibromo-3-ethylthiophene
PubChem CID14896125
Molecular FormulaC6H6Br2S
Molecular Weight269.99 g/mol
Exact Mass267.86
IUPAC Name2,5-dibromo-3-ethylthiophene
SMILESCCc1cc(Br)sc1Br
InChIInChI=1S/C6H6Br2S/c1-2-4-3-5(7)9-6(4)8/h3H,2H2,1H3
InChIKeySEFOUDCWOOYMAQ-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.99
LogP ≤ 53.84
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-ethylthiophene?
The IUPAC name of 2,5-dibromo-3-ethylthiophene (CID 14896125) is 2,5-dibromo-3-ethylthiophene.
What is the SMILES notation for 2,5-dibromo-3-ethylthiophene?
The canonical SMILES for 2,5-dibromo-3-ethylthiophene is CCc1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-3-ethylthiophene?
The InChIKey is SEFOUDCWOOYMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2S/c1-2-4-3-5(7)9-6(4)8/h3H,2H2,1H3.
What are the key properties of 2,5-dibromo-3-ethylthiophene?
2,5-dibromo-3-ethylthiophene has a molecular weight of 269.99 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-ethylthiophene is sourced from PubChem (CID 14896125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).