5-(5-formylthiophen-3-yl)furan-2-carboxylic acid

C10H6O4S — CID 18801353

IUPAC5-(5-formylthiophen-3-yl)furan-2-carboxylic acid
SMILESO=Cc1cc(-c2ccc(C(=O)O)o2)cs1
InChIInChI=1S/C10H6O4S/c11-4-7-3-6(5-15-7)8-1-2-9(14-8)10(12)13/h1-5H,(H,12,13)
InChIKeyGQLILSRYWYTCLM-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.52
Rot. Bonds3

About 5-(5-formylthiophen-3-yl)furan-2-carboxylic acid

5-(5-formylthiophen-3-yl)furan-2-carboxylic acid (PubChem CID 18801353) has the molecular formula C10H6O4S and a molecular weight of 222.22 g/mol. Its IUPAC name is 5-(5-formylthiophen-3-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-formylthiophen-3-yl)furan-2-carboxylic acid
PubChem CID18801353
Molecular FormulaC10H6O4S
Molecular Weight222.22 g/mol
Exact Mass222.00
IUPAC Name5-(5-formylthiophen-3-yl)furan-2-carboxylic acid
SMILESO=Cc1cc(-c2ccc(C(=O)O)o2)cs1
InChIInChI=1S/C10H6O4S/c11-4-7-3-6(5-15-7)8-1-2-9(14-8)10(12)13/h1-5H,(H,12,13)
InChIKeyGQLILSRYWYTCLM-UHFFFAOYSA-N
XLogP2.52
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-(5-formylthiophen-3-yl)furan-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 5-(5-formylthiophen-3-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(5-formylthiophen-3-yl)furan-2-carboxylic acid (CID 18801353) is 5-(5-formylthiophen-3-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(5-formylthiophen-3-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(5-formylthiophen-3-yl)furan-2-carboxylic acid is O=Cc1cc(-c2ccc(C(=O)O)o2)cs1.
What is the InChIKey of 5-(5-formylthiophen-3-yl)furan-2-carboxylic acid?
The InChIKey is GQLILSRYWYTCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O4S/c11-4-7-3-6(5-15-7)8-1-2-9(14-8)10(12)13/h1-5H,(H,12,13).
What are the key properties of 5-(5-formylthiophen-3-yl)furan-2-carboxylic acid?
5-(5-formylthiophen-3-yl)furan-2-carboxylic acid has a molecular weight of 222.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-formylthiophen-3-yl)furan-2-carboxylic acid is sourced from PubChem (CID 18801353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).