thiophene-2-carboxylic acid

C5H4O2S — CID 10700

IUPACthiophene-2-carboxylic acid
SMILESO=C(O)c1cccs1
InChIInChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
InChIKeyQERYCTSHXKAMIS-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.45
Rot. Bonds1

About thiophene-2-carboxylic acid

thiophene-2-carboxylic acid (PubChem CID 10700) has the molecular formula C5H4O2S and a molecular weight of 128.15 g/mol. Its IUPAC name is thiophene-2-carboxylic acid.

Molecular Properties

Compound Namethiophene-2-carboxylic acid
PubChem CID10700
Molecular FormulaC5H4O2S
Molecular Weight128.15 g/mol
Exact Mass127.99
IUPAC Namethiophene-2-carboxylic acid
SMILESO=C(O)c1cccs1
InChIInChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
InChIKeyQERYCTSHXKAMIS-UHFFFAOYSA-N
XLogP1.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze thiophene-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 thiophene-2-carboxylic acid?
The IUPAC name of thiophene-2-carboxylic acid (CID 10700) is thiophene-2-carboxylic acid.
What is the SMILES notation for thiophene-2-carboxylic acid?
The canonical SMILES for thiophene-2-carboxylic acid is O=C(O)c1cccs1.
What is the InChIKey of thiophene-2-carboxylic acid?
The InChIKey is QERYCTSHXKAMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7).
What are the key properties of thiophene-2-carboxylic acid?
thiophene-2-carboxylic acid has a molecular weight of 128.15 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-2-carboxylic acid is sourced from PubChem (CID 10700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).