5-ethylthiophene-2-carboxylic acid

C7H8O2S — CID 588192

IUPAC5-ethylthiophene-2-carboxylic acid
SMILESCCc1ccc(C(=O)O)s1
InChIInChI=1S/C7H8O2S/c1-2-5-3-4-6(10-5)7(8)9/h3-4H,2H2,1H3,(H,8,9)
InChIKeyZVBNGIDVTPTFCL-UHFFFAOYSA-N
MW156.21 g/mol
LogP2.01
Rot. Bonds2

About 5-ethylthiophene-2-carboxylic acid

5-ethylthiophene-2-carboxylic acid (PubChem CID 588192) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 5-ethylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-ethylthiophene-2-carboxylic acid
PubChem CID588192
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name5-ethylthiophene-2-carboxylic acid
SMILESCCc1ccc(C(=O)O)s1
InChIInChI=1S/C7H8O2S/c1-2-5-3-4-6(10-5)7(8)9/h3-4H,2H2,1H3,(H,8,9)
InChIKeyZVBNGIDVTPTFCL-UHFFFAOYSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethylthiophene-2-carboxylic acid?
The IUPAC name of 5-ethylthiophene-2-carboxylic acid (CID 588192) is 5-ethylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-ethylthiophene-2-carboxylic acid?
The canonical SMILES for 5-ethylthiophene-2-carboxylic acid is CCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-ethylthiophene-2-carboxylic acid?
The InChIKey is ZVBNGIDVTPTFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-2-5-3-4-6(10-5)7(8)9/h3-4H,2H2,1H3,(H,8,9).
What are the key properties of 5-ethylthiophene-2-carboxylic acid?
5-ethylthiophene-2-carboxylic acid has a molecular weight of 156.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylthiophene-2-carboxylic acid is sourced from PubChem (CID 588192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).