2-bromo-5-(4-bromobutyl)thiophene

C8H10Br2S — CID 64508693

IUPAC2-bromo-5-(4-bromobutyl)thiophene
SMILESBrCCCCc1ccc(Br)s1
InChIInChI=1S/C8H10Br2S/c9-6-2-1-3-7-4-5-8(10)11-7/h4-5H,1-3,6H2
InChIKeyDQURUEAJGDCFEP-UHFFFAOYSA-N
MW298.04 g/mol
LogP4.23
Rot. Bonds4

About 2-bromo-5-(4-bromobutyl)thiophene

2-bromo-5-(4-bromobutyl)thiophene (PubChem CID 64508693) has the molecular formula C8H10Br2S and a molecular weight of 298.04 g/mol. Its IUPAC name is 2-bromo-5-(4-bromobutyl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(4-bromobutyl)thiophene
PubChem CID64508693
Molecular FormulaC8H10Br2S
Molecular Weight298.04 g/mol
Exact Mass295.89
IUPAC Name2-bromo-5-(4-bromobutyl)thiophene
SMILESBrCCCCc1ccc(Br)s1
InChIInChI=1S/C8H10Br2S/c9-6-2-1-3-7-4-5-8(10)11-7/h4-5H,1-3,6H2
InChIKeyDQURUEAJGDCFEP-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.04
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-bromobutyl)thiophene?
The IUPAC name of 2-bromo-5-(4-bromobutyl)thiophene (CID 64508693) is 2-bromo-5-(4-bromobutyl)thiophene.
What is the SMILES notation for 2-bromo-5-(4-bromobutyl)thiophene?
The canonical SMILES for 2-bromo-5-(4-bromobutyl)thiophene is BrCCCCc1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-(4-bromobutyl)thiophene?
The InChIKey is DQURUEAJGDCFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2S/c9-6-2-1-3-7-4-5-8(10)11-7/h4-5H,1-3,6H2.
What are the key properties of 2-bromo-5-(4-bromobutyl)thiophene?
2-bromo-5-(4-bromobutyl)thiophene has a molecular weight of 298.04 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-bromobutyl)thiophene is sourced from PubChem (CID 64508693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).