2,3-dibromo-5-(1-bromododecyl)thiophene

C16H25Br3S — CID 80534369

IUPAC2,3-dibromo-5-(1-bromododecyl)thiophene
SMILESCCCCCCCCCCCC(Br)c1cc(Br)c(Br)s1
InChIInChI=1S/C16H25Br3S/c1-2-3-4-5-6-7-8-9-10-11-13(17)15-12-14(18)16(19)20-15/h12-13H,2-11H2,1H3
InChIKeyUGCMJUJYENJQIM-UHFFFAOYSA-N
MW489.16 g/mol
LogP8.63
Rot. Bonds11

About 2,3-dibromo-5-(1-bromododecyl)thiophene

2,3-dibromo-5-(1-bromododecyl)thiophene (PubChem CID 80534369) has the molecular formula C16H25Br3S and a molecular weight of 489.16 g/mol. Its IUPAC name is 2,3-dibromo-5-(1-bromododecyl)thiophene.

Molecular Properties

Compound Name2,3-dibromo-5-(1-bromododecyl)thiophene
PubChem CID80534369
Molecular FormulaC16H25Br3S
Molecular Weight489.16 g/mol
Exact Mass485.92
IUPAC Name2,3-dibromo-5-(1-bromododecyl)thiophene
SMILESCCCCCCCCCCCC(Br)c1cc(Br)c(Br)s1
InChIInChI=1S/C16H25Br3S/c1-2-3-4-5-6-7-8-9-10-11-13(17)15-12-14(18)16(19)20-15/h12-13H,2-11H2,1H3
InChIKeyUGCMJUJYENJQIM-UHFFFAOYSA-N
XLogP8.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.16
LogP ≤ 58.63
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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Related Compounds

1-(4,5-dibromothiophen-2-yl)heptan-1-ol
CID 114753442
1-(4,5-dibromothiophen-2-yl)octan-1-ol
CID 80535373
1-(4,5-dibromothiophen-2-yl)-N-methylundecan-1-amine
CID 115845955
1-(4,5-dibromothiophen-2-yl)decylhydrazine
CID 105293426
1-(4,5-dibromothiophen-2-yl)-N-propyloctan-1-amine
CID 80535572
1-(4,5-dibromothiophen-2-yl)-N-propylheptan-1-amine
CID 114752623
(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
CID 171235173
2-bromo-5-(1-bromoheptyl)thiophene
CID 114753618
2,3-dibromo-5-(1-bromo-3-methylpentyl)thiophene
CID 114876229
1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine
CID 80533934
2-(1-bromononyl)thiophene
CID 65427153
1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine
CID 82985514

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-(1-bromododecyl)thiophene?
The IUPAC name of 2,3-dibromo-5-(1-bromododecyl)thiophene (CID 80534369) is 2,3-dibromo-5-(1-bromododecyl)thiophene.
What is the SMILES notation for 2,3-dibromo-5-(1-bromododecyl)thiophene?
The canonical SMILES for 2,3-dibromo-5-(1-bromododecyl)thiophene is CCCCCCCCCCCC(Br)c1cc(Br)c(Br)s1.
What is the InChIKey of 2,3-dibromo-5-(1-bromododecyl)thiophene?
The InChIKey is UGCMJUJYENJQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Br3S/c1-2-3-4-5-6-7-8-9-10-11-13(17)15-12-14(18)16(19)20-15/h12-13H,2-11H2,1H3.
What are the key properties of 2,3-dibromo-5-(1-bromododecyl)thiophene?
2,3-dibromo-5-(1-bromododecyl)thiophene has a molecular weight of 489.16 g/mol, XLogP of 8.63, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-(1-bromododecyl)thiophene is sourced from PubChem (CID 80534369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).