2,5-dibromo-3-(2-ethylhexyl)thiophene

C12H18Br2S — CID 71607408

IUPAC2,5-dibromo-3-(2-ethylhexyl)thiophene
SMILESCCCCC(CC)Cc1cc(Br)sc1Br
InChIInChI=1S/C12H18Br2S/c1-3-5-6-9(4-2)7-10-8-11(13)15-12(10)14/h8-9H,3-7H2,1-2H3
InChIKeyDFUZDCATNROZQR-UHFFFAOYSA-N
MW354.15 g/mol
LogP6.03
Rot. Bonds6

About 2,5-dibromo-3-(2-ethylhexyl)thiophene

2,5-dibromo-3-(2-ethylhexyl)thiophene (PubChem CID 71607408) has the molecular formula C12H18Br2S and a molecular weight of 354.15 g/mol. Its IUPAC name is 2,5-dibromo-3-(2-ethylhexyl)thiophene.

Molecular Properties

Compound Name2,5-dibromo-3-(2-ethylhexyl)thiophene
PubChem CID71607408
Molecular FormulaC12H18Br2S
Molecular Weight354.15 g/mol
Exact Mass351.95
IUPAC Name2,5-dibromo-3-(2-ethylhexyl)thiophene
SMILESCCCCC(CC)Cc1cc(Br)sc1Br
InChIInChI=1S/C12H18Br2S/c1-3-5-6-9(4-2)7-10-8-11(13)15-12(10)14/h8-9H,3-7H2,1-2H3
InChIKeyDFUZDCATNROZQR-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.15
LogP ≤ 56.03
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-(2-ethylhexyl)thiophene?
The IUPAC name of 2,5-dibromo-3-(2-ethylhexyl)thiophene (CID 71607408) is 2,5-dibromo-3-(2-ethylhexyl)thiophene.
What is the SMILES notation for 2,5-dibromo-3-(2-ethylhexyl)thiophene?
The canonical SMILES for 2,5-dibromo-3-(2-ethylhexyl)thiophene is CCCCC(CC)Cc1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-3-(2-ethylhexyl)thiophene?
The InChIKey is DFUZDCATNROZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2S/c1-3-5-6-9(4-2)7-10-8-11(13)15-12(10)14/h8-9H,3-7H2,1-2H3.
What are the key properties of 2,5-dibromo-3-(2-ethylhexyl)thiophene?
2,5-dibromo-3-(2-ethylhexyl)thiophene has a molecular weight of 354.15 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-(2-ethylhexyl)thiophene is sourced from PubChem (CID 71607408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).