2-bromo-5-(1-bromo-2-ethylhexyl)thiophene

C12H18Br2S — CID 63443930

IUPAC2-bromo-5-(1-bromo-2-ethylhexyl)thiophene
SMILESCCCCC(CC)C(Br)c1ccc(Br)s1
InChIInChI=1S/C12H18Br2S/c1-3-5-6-9(4-2)12(14)10-7-8-11(13)15-10/h7-9,12H,3-6H2,1-2H3
InChIKeyIRWGOTHESMTLCC-UHFFFAOYSA-N
MW354.15 g/mol
LogP6.16
Rot. Bonds6

About 2-bromo-5-(1-bromo-2-ethylhexyl)thiophene

2-bromo-5-(1-bromo-2-ethylhexyl)thiophene (PubChem CID 63443930) has the molecular formula C12H18Br2S and a molecular weight of 354.15 g/mol. Its IUPAC name is 2-bromo-5-(1-bromo-2-ethylhexyl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(1-bromo-2-ethylhexyl)thiophene
PubChem CID63443930
Molecular FormulaC12H18Br2S
Molecular Weight354.15 g/mol
Exact Mass351.95
IUPAC Name2-bromo-5-(1-bromo-2-ethylhexyl)thiophene
SMILESCCCCC(CC)C(Br)c1ccc(Br)s1
InChIInChI=1S/C12H18Br2S/c1-3-5-6-9(4-2)12(14)10-7-8-11(13)15-10/h7-9,12H,3-6H2,1-2H3
InChIKeyIRWGOTHESMTLCC-UHFFFAOYSA-N
XLogP6.16
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 ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-bromo-2-ethylhexyl)thiophene?
The IUPAC name of 2-bromo-5-(1-bromo-2-ethylhexyl)thiophene (CID 63443930) is 2-bromo-5-(1-bromo-2-ethylhexyl)thiophene.
What is the SMILES notation for 2-bromo-5-(1-bromo-2-ethylhexyl)thiophene?
The canonical SMILES for 2-bromo-5-(1-bromo-2-ethylhexyl)thiophene is CCCCC(CC)C(Br)c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-(1-bromo-2-ethylhexyl)thiophene?
The InChIKey is IRWGOTHESMTLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2S/c1-3-5-6-9(4-2)12(14)10-7-8-11(13)15-10/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 2-bromo-5-(1-bromo-2-ethylhexyl)thiophene?
2-bromo-5-(1-bromo-2-ethylhexyl)thiophene has a molecular weight of 354.15 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1-bromo-2-ethylhexyl)thiophene is sourced from PubChem (CID 63443930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).