2,5-dibromo-3-(3,4-dibromohexyl)thiophene

C10H12Br4S — CID 141391851

IUPAC2,5-dibromo-3-(3,4-dibromohexyl)thiophene
SMILESCCC(Br)C(Br)CCc1cc(Br)sc1Br
InChIInChI=1S/C10H12Br4S/c1-2-7(11)8(12)4-3-6-5-9(13)15-10(6)14/h5,7-8H,2-4H2,1H3
InChIKeyTXIXVLDDLSUNAC-UHFFFAOYSA-N
MW483.89 g/mol
LogP6.14
Rot. Bonds5

About 2,5-dibromo-3-(3,4-dibromohexyl)thiophene

2,5-dibromo-3-(3,4-dibromohexyl)thiophene (PubChem CID 141391851) has the molecular formula C10H12Br4S and a molecular weight of 483.89 g/mol. Its IUPAC name is 2,5-dibromo-3-(3,4-dibromohexyl)thiophene.

Molecular Properties

Compound Name2,5-dibromo-3-(3,4-dibromohexyl)thiophene
PubChem CID141391851
Molecular FormulaC10H12Br4S
Molecular Weight483.89 g/mol
Exact Mass479.74
IUPAC Name2,5-dibromo-3-(3,4-dibromohexyl)thiophene
SMILESCCC(Br)C(Br)CCc1cc(Br)sc1Br
InChIInChI=1S/C10H12Br4S/c1-2-7(11)8(12)4-3-6-5-9(13)15-10(6)14/h5,7-8H,2-4H2,1H3
InChIKeyTXIXVLDDLSUNAC-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.89
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-(3,4-dibromohexyl)thiophene?
The IUPAC name of 2,5-dibromo-3-(3,4-dibromohexyl)thiophene (CID 141391851) is 2,5-dibromo-3-(3,4-dibromohexyl)thiophene.
What is the SMILES notation for 2,5-dibromo-3-(3,4-dibromohexyl)thiophene?
The canonical SMILES for 2,5-dibromo-3-(3,4-dibromohexyl)thiophene is CCC(Br)C(Br)CCc1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-3-(3,4-dibromohexyl)thiophene?
The InChIKey is TXIXVLDDLSUNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br4S/c1-2-7(11)8(12)4-3-6-5-9(13)15-10(6)14/h5,7-8H,2-4H2,1H3.
What are the key properties of 2,5-dibromo-3-(3,4-dibromohexyl)thiophene?
2,5-dibromo-3-(3,4-dibromohexyl)thiophene has a molecular weight of 483.89 g/mol, XLogP of 6.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-(3,4-dibromohexyl)thiophene is sourced from PubChem (CID 141391851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).