5-ethylthiophene-3-carboxylic acid

C7H8O2S — CID 3561548

IUPAC5-ethylthiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)cs1
InChIInChI=1S/C7H8O2S/c1-2-6-3-5(4-10-6)7(8)9/h3-4H,2H2,1H3,(H,8,9)
InChIKeyWGPALAIKGVKNGT-UHFFFAOYSA-N
MW156.21 g/mol
LogP2.01
Rot. Bonds2

About 5-ethylthiophene-3-carboxylic acid

5-ethylthiophene-3-carboxylic acid (PubChem CID 3561548) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 5-ethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-ethylthiophene-3-carboxylic acid
PubChem CID3561548
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name5-ethylthiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)cs1
InChIInChI=1S/C7H8O2S/c1-2-6-3-5(4-10-6)7(8)9/h3-4H,2H2,1H3,(H,8,9)
InChIKeyWGPALAIKGVKNGT-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 5-ethylthiophene-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

Related Compounds

2-Thiophenecarboxylic acid
CID 10700
3-Methyl-2-thenoic acid
CID 90269
3-Thiophenecarboxylic acid, 5-methyl-
CID 209069
2,5-Thiophenedicarboxylic acid
CID 20273
5-(Methylsulfanyl)thiophene-2-carboxylic acid
CID 714372
4,5-Dimethylthiophene-2-carboxylic acid
CID 2769634
5-Methylthiophene-2-carboxylic acid
CID 74713
4-Methylthiophene-2-carboxylic acid
CID 2794584
4-(Thiophen-2-yl)benzoic acid
CID 736498
4-(3-Thienyl)benzoic acid
CID 736862
5-Phenyl-2-Thiophenecarboxylic Acid
CID 736494
4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid
CID 2063443

Frequently Asked Questions

What is the IUPAC name of 5-ethylthiophene-3-carboxylic acid?
The IUPAC name of 5-ethylthiophene-3-carboxylic acid (CID 3561548) is 5-ethylthiophene-3-carboxylic acid.
What is the SMILES notation for 5-ethylthiophene-3-carboxylic acid?
The canonical SMILES for 5-ethylthiophene-3-carboxylic acid is CCc1cc(C(=O)O)cs1.
What is the InChIKey of 5-ethylthiophene-3-carboxylic acid?
The InChIKey is WGPALAIKGVKNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-2-6-3-5(4-10-6)7(8)9/h3-4H,2H2,1H3,(H,8,9).
What are the key properties of 5-ethylthiophene-3-carboxylic acid?
5-ethylthiophene-3-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-3-carboxylic acid is sourced from PubChem (CID 3561548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).