6-(2,5-dibromothiophen-3-yl)hexanoic acid

C10H12Br2O2S — CID 43446944

IUPAC6-(2,5-dibromothiophen-3-yl)hexanoic acid
SMILESO=C(O)CCCCCc1cc(Br)sc1Br
InChIInChI=1S/C10H12Br2O2S/c11-8-6-7(10(12)15-8)4-2-1-3-5-9(13)14/h6H,1-5H2,(H,13,14)
InChIKeyGVQBTXGWCFIIEH-UHFFFAOYSA-N
MW356.08 g/mol
LogP4.46
Rot. Bonds6

About 6-(2,5-dibromothiophen-3-yl)hexanoic acid

6-(2,5-dibromothiophen-3-yl)hexanoic acid (PubChem CID 43446944) has the molecular formula C10H12Br2O2S and a molecular weight of 356.08 g/mol. Its IUPAC name is 6-(2,5-dibromothiophen-3-yl)hexanoic acid.

Molecular Properties

Compound Name6-(2,5-dibromothiophen-3-yl)hexanoic acid
PubChem CID43446944
Molecular FormulaC10H12Br2O2S
Molecular Weight356.08 g/mol
Exact Mass353.89
IUPAC Name6-(2,5-dibromothiophen-3-yl)hexanoic acid
SMILESO=C(O)CCCCCc1cc(Br)sc1Br
InChIInChI=1S/C10H12Br2O2S/c11-8-6-7(10(12)15-8)4-2-1-3-5-9(13)14/h6H,1-5H2,(H,13,14)
InChIKeyGVQBTXGWCFIIEH-UHFFFAOYSA-N
XLogP4.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.08
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-(2,5-dibromothiophen-3-yl)undecan-1-ol
CID 101496328
6-(2,5-dibromothiophen-3-yl)hexan-1-ol
CID 86013367
11-(3-oxocyclopropen-1-yl)undecanoic acid
CID 10243288
1-(2,5-dibromothiophen-3-yl)pentan-3-one
CID 122517209
6-(2,5-dihydroxy-1H-pyrrol-3-yl)hexanoic acid
CID 123209377
8-[5-(4-carboxybutyl)thiophen-2-yl]octanoic acid
CID 4270643
butanedioic acid;decanedioic acid;hexanedioic acid
CID 137367158
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252
10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid
CID 23471248
6-(2,5-dihydroxyphenyl)hexanoic acid
CID 54544724
2,5-dibromo-3-ethylthiophene
CID 14896125
ethyl 6-[5-bromo-2-[5-bromo-3-(6-ethoxy-6-oxohexyl)thiophen-2-yl]thiophen-3-yl]hexanoate
CID 171591076

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dibromothiophen-3-yl)hexanoic acid?
The IUPAC name of 6-(2,5-dibromothiophen-3-yl)hexanoic acid (CID 43446944) is 6-(2,5-dibromothiophen-3-yl)hexanoic acid.
What is the SMILES notation for 6-(2,5-dibromothiophen-3-yl)hexanoic acid?
The canonical SMILES for 6-(2,5-dibromothiophen-3-yl)hexanoic acid is O=C(O)CCCCCc1cc(Br)sc1Br.
What is the InChIKey of 6-(2,5-dibromothiophen-3-yl)hexanoic acid?
The InChIKey is GVQBTXGWCFIIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O2S/c11-8-6-7(10(12)15-8)4-2-1-3-5-9(13)14/h6H,1-5H2,(H,13,14).
What are the key properties of 6-(2,5-dibromothiophen-3-yl)hexanoic acid?
6-(2,5-dibromothiophen-3-yl)hexanoic acid has a molecular weight of 356.08 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dibromothiophen-3-yl)hexanoic acid is sourced from PubChem (CID 43446944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).