5-acetylthiophene-3-carboxylic acid

C7H6O3S — CID 6484122

IUPAC5-acetylthiophene-3-carboxylic acid
SMILESCC(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C7H6O3S/c1-4(8)6-2-5(3-11-6)7(9)10/h2-3H,1H3,(H,9,10)
InChIKeyGSPVECVNXXJOGI-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.65
Rot. Bonds2

About 5-acetylthiophene-3-carboxylic acid

5-acetylthiophene-3-carboxylic acid (PubChem CID 6484122) has the molecular formula C7H6O3S and a molecular weight of 170.19 g/mol. Its IUPAC name is 5-acetylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-acetylthiophene-3-carboxylic acid
PubChem CID6484122
Molecular FormulaC7H6O3S
Molecular Weight170.19 g/mol
Exact Mass170.00
IUPAC Name5-acetylthiophene-3-carboxylic acid
SMILESCC(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C7H6O3S/c1-4(8)6-2-5(3-11-6)7(9)10/h2-3H,1H3,(H,9,10)
InChIKeyGSPVECVNXXJOGI-UHFFFAOYSA-N
XLogP1.65
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-acetylthiophene-3-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-acetylthiophene-3-carboxylic acid?
The IUPAC name of 5-acetylthiophene-3-carboxylic acid (CID 6484122) is 5-acetylthiophene-3-carboxylic acid.
What is the SMILES notation for 5-acetylthiophene-3-carboxylic acid?
The canonical SMILES for 5-acetylthiophene-3-carboxylic acid is CC(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-acetylthiophene-3-carboxylic acid?
The InChIKey is GSPVECVNXXJOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3S/c1-4(8)6-2-5(3-11-6)7(9)10/h2-3H,1H3,(H,9,10).
What are the key properties of 5-acetylthiophene-3-carboxylic acid?
5-acetylthiophene-3-carboxylic acid has a molecular weight of 170.19 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetylthiophene-3-carboxylic acid is sourced from PubChem (CID 6484122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).