4-bromo-5-ethylthiophene-2-carboxylic acid

C7H7BrO2S — CID 3766372

IUPAC4-bromo-5-ethylthiophene-2-carboxylic acid
SMILESCCc1sc(C(=O)O)cc1Br
InChIInChI=1S/C7H7BrO2S/c1-2-5-4(8)3-6(11-5)7(9)10/h3H,2H2,1H3,(H,9,10)
InChIKeyIRDAEUDNKBRCAE-UHFFFAOYSA-N
MW235.10 g/mol
LogP2.77
Rot. Bonds2

About 4-bromo-5-ethylthiophene-2-carboxylic acid

4-bromo-5-ethylthiophene-2-carboxylic acid (PubChem CID 3766372) has the molecular formula C7H7BrO2S and a molecular weight of 235.10 g/mol. Its IUPAC name is 4-bromo-5-ethylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-5-ethylthiophene-2-carboxylic acid
PubChem CID3766372
Molecular FormulaC7H7BrO2S
Molecular Weight235.10 g/mol
Exact Mass233.94
IUPAC Name4-bromo-5-ethylthiophene-2-carboxylic acid
SMILESCCc1sc(C(=O)O)cc1Br
InChIInChI=1S/C7H7BrO2S/c1-2-5-4(8)3-6(11-5)7(9)10/h3H,2H2,1H3,(H,9,10)
InChIKeyIRDAEUDNKBRCAE-UHFFFAOYSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.10
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethylthiophene-2-carboxylic acid?
The IUPAC name of 4-bromo-5-ethylthiophene-2-carboxylic acid (CID 3766372) is 4-bromo-5-ethylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-bromo-5-ethylthiophene-2-carboxylic acid?
The canonical SMILES for 4-bromo-5-ethylthiophene-2-carboxylic acid is CCc1sc(C(=O)O)cc1Br.
What is the InChIKey of 4-bromo-5-ethylthiophene-2-carboxylic acid?
The InChIKey is IRDAEUDNKBRCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO2S/c1-2-5-4(8)3-6(11-5)7(9)10/h3H,2H2,1H3,(H,9,10).
What are the key properties of 4-bromo-5-ethylthiophene-2-carboxylic acid?
4-bromo-5-ethylthiophene-2-carboxylic acid has a molecular weight of 235.10 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethylthiophene-2-carboxylic acid is sourced from PubChem (CID 3766372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).