2-bromo-5-ethylthiophene-3-carboxylic acid

C7H7BrO2S — CID 59542522

IUPAC2-bromo-5-ethylthiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(Br)s1
InChIInChI=1S/C7H7BrO2S/c1-2-4-3-5(7(9)10)6(8)11-4/h3H,2H2,1H3,(H,9,10)
InChIKeyYMYZOZVNKZZZJG-UHFFFAOYSA-N
MW235.10 g/mol
LogP2.77
Rot. Bonds2

About 2-bromo-5-ethylthiophene-3-carboxylic acid

2-bromo-5-ethylthiophene-3-carboxylic acid (PubChem CID 59542522) has the molecular formula C7H7BrO2S and a molecular weight of 235.10 g/mol. Its IUPAC name is 2-bromo-5-ethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-bromo-5-ethylthiophene-3-carboxylic acid
PubChem CID59542522
Molecular FormulaC7H7BrO2S
Molecular Weight235.10 g/mol
Exact Mass233.94
IUPAC Name2-bromo-5-ethylthiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(Br)s1
InChIInChI=1S/C7H7BrO2S/c1-2-4-3-5(7(9)10)6(8)11-4/h3H,2H2,1H3,(H,9,10)
InChIKeyYMYZOZVNKZZZJG-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 2-bromo-5-ethylthiophene-3-carboxylic acid?
The IUPAC name of 2-bromo-5-ethylthiophene-3-carboxylic acid (CID 59542522) is 2-bromo-5-ethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-bromo-5-ethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-bromo-5-ethylthiophene-3-carboxylic acid is CCc1cc(C(=O)O)c(Br)s1.
What is the InChIKey of 2-bromo-5-ethylthiophene-3-carboxylic acid?
The InChIKey is YMYZOZVNKZZZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO2S/c1-2-4-3-5(7(9)10)6(8)11-4/h3H,2H2,1H3,(H,9,10).
What are the key properties of 2-bromo-5-ethylthiophene-3-carboxylic acid?
2-bromo-5-ethylthiophene-3-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 2-bromo-5-ethylthiophene-3-carboxylic acid is sourced from PubChem (CID 59542522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).