4-hydroxythiophene-2-carboxylic acid

C5H4O3S — CID 13277907

IUPAC4-hydroxythiophene-2-carboxylic acid
SMILESO=C(O)c1cc(O)cs1
InChIInChI=1S/C5H4O3S/c6-3-1-4(5(7)8)9-2-3/h1-2,6H,(H,7,8)
InChIKeyFFIUBSLJPHJUCZ-UHFFFAOYSA-N
MW144.15 g/mol
LogP1.15
Rot. Bonds1

About 4-hydroxythiophene-2-carboxylic acid

4-hydroxythiophene-2-carboxylic acid (PubChem CID 13277907) has the molecular formula C5H4O3S and a molecular weight of 144.15 g/mol. Its IUPAC name is 4-hydroxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxythiophene-2-carboxylic acid
PubChem CID13277907
Molecular FormulaC5H4O3S
Molecular Weight144.15 g/mol
Exact Mass143.99
IUPAC Name4-hydroxythiophene-2-carboxylic acid
SMILESO=C(O)c1cc(O)cs1
InChIInChI=1S/C5H4O3S/c6-3-1-4(5(7)8)9-2-3/h1-2,6H,(H,7,8)
InChIKeyFFIUBSLJPHJUCZ-UHFFFAOYSA-N
XLogP1.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxythiophene-2-carboxylic acid?
The IUPAC name of 4-hydroxythiophene-2-carboxylic acid (CID 13277907) is 4-hydroxythiophene-2-carboxylic acid.
What is the SMILES notation for 4-hydroxythiophene-2-carboxylic acid?
The canonical SMILES for 4-hydroxythiophene-2-carboxylic acid is O=C(O)c1cc(O)cs1.
What is the InChIKey of 4-hydroxythiophene-2-carboxylic acid?
The InChIKey is FFIUBSLJPHJUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O3S/c6-3-1-4(5(7)8)9-2-3/h1-2,6H,(H,7,8).
What are the key properties of 4-hydroxythiophene-2-carboxylic acid?
4-hydroxythiophene-2-carboxylic acid has a molecular weight of 144.15 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxythiophene-2-carboxylic acid is sourced from PubChem (CID 13277907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).