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

C7H7BrO2S — CID 69268760

IUPAC5-bromo-4-ethylthiophene-2-carboxylic acid
SMILESCCc1cc(C(=O)O)sc1Br
InChIInChI=1S/C7H7BrO2S/c1-2-4-3-5(7(9)10)11-6(4)8/h3H,2H2,1H3,(H,9,10)
InChIKeyOZXYMJYYMLDNTO-UHFFFAOYSA-N
MW235.10 g/mol
LogP2.77
Rot. Bonds2

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

5-bromo-4-ethylthiophene-2-carboxylic acid (PubChem CID 69268760) has the molecular formula C7H7BrO2S and a molecular weight of 235.10 g/mol. Its IUPAC name is 5-bromo-4-ethylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-ethylthiophene-2-carboxylic acid
PubChem CID69268760
Molecular FormulaC7H7BrO2S
Molecular Weight235.10 g/mol
Exact Mass233.94
IUPAC Name5-bromo-4-ethylthiophene-2-carboxylic acid
SMILESCCc1cc(C(=O)O)sc1Br
InChIInChI=1S/C7H7BrO2S/c1-2-4-3-5(7(9)10)11-6(4)8/h3H,2H2,1H3,(H,9,10)
InChIKeyOZXYMJYYMLDNTO-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

Analyze 5-bromo-4-ethylthiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-ethylthiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-ethylthiophene-2-carboxylic acid (CID 69268760) is 5-bromo-4-ethylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-ethylthiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-ethylthiophene-2-carboxylic acid is CCc1cc(C(=O)O)sc1Br.
What is the InChIKey of 5-bromo-4-ethylthiophene-2-carboxylic acid?
The InChIKey is OZXYMJYYMLDNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO2S/c1-2-4-3-5(7(9)10)11-6(4)8/h3H,2H2,1H3,(H,9,10).
What are the key properties of 5-bromo-4-ethylthiophene-2-carboxylic acid?
5-bromo-4-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 5-bromo-4-ethylthiophene-2-carboxylic acid is sourced from PubChem (CID 69268760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).