4-ethylthiophene-2-carboxylic acid

C7H8O2S — CID 18938079

IUPAC4-ethylthiophene-2-carboxylic acid
SMILESCCc1csc(C(=O)O)c1
InChIInChI=1S/C7H8O2S/c1-2-5-3-6(7(8)9)10-4-5/h3-4H,2H2,1H3,(H,8,9)
InChIKeyYKIJVMPJDMKQTP-UHFFFAOYSA-N
MW156.21 g/mol
LogP2.01
Rot. Bonds2

About 4-ethylthiophene-2-carboxylic acid

4-ethylthiophene-2-carboxylic acid (PubChem CID 18938079) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 4-ethylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-ethylthiophene-2-carboxylic acid
PubChem CID18938079
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name4-ethylthiophene-2-carboxylic acid
SMILESCCc1csc(C(=O)O)c1
InChIInChI=1S/C7H8O2S/c1-2-5-3-6(7(8)9)10-4-5/h3-4H,2H2,1H3,(H,8,9)
InChIKeyYKIJVMPJDMKQTP-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

Analyze 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 4-ethylthiophene-2-carboxylic acid?
The IUPAC name of 4-ethylthiophene-2-carboxylic acid (CID 18938079) is 4-ethylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-ethylthiophene-2-carboxylic acid?
The canonical SMILES for 4-ethylthiophene-2-carboxylic acid is CCc1csc(C(=O)O)c1.
What is the InChIKey of 4-ethylthiophene-2-carboxylic acid?
The InChIKey is YKIJVMPJDMKQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-2-5-3-6(7(8)9)10-4-5/h3-4H,2H2,1H3,(H,8,9).
What are the key properties of 4-ethylthiophene-2-carboxylic acid?
4-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 4-ethylthiophene-2-carboxylic acid is sourced from PubChem (CID 18938079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).