5-thiophen-2-ylfuran-3-carboxylic acid

C9H6O3S — CID 127019923

IUPAC5-thiophen-2-ylfuran-3-carboxylic acid
SMILESO=C(O)c1coc(-c2cccs2)c1
InChIInChI=1S/C9H6O3S/c10-9(11)6-4-7(12-5-6)8-2-1-3-13-8/h1-5H,(H,10,11)
InChIKeyCUOQPZSYPYURGP-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.71
Rot. Bonds2

About 5-thiophen-2-ylfuran-3-carboxylic acid

5-thiophen-2-ylfuran-3-carboxylic acid (PubChem CID 127019923) has the molecular formula C9H6O3S and a molecular weight of 194.21 g/mol. Its IUPAC name is 5-thiophen-2-ylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-thiophen-2-ylfuran-3-carboxylic acid
PubChem CID127019923
Molecular FormulaC9H6O3S
Molecular Weight194.21 g/mol
Exact Mass194.00
IUPAC Name5-thiophen-2-ylfuran-3-carboxylic acid
SMILESO=C(O)c1coc(-c2cccs2)c1
InChIInChI=1S/C9H6O3S/c10-9(11)6-4-7(12-5-6)8-2-1-3-13-8/h1-5H,(H,10,11)
InChIKeyCUOQPZSYPYURGP-UHFFFAOYSA-N
XLogP2.71
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759
4-fluoro-3-thiophen-2-ylbenzoic acid
CID 52984079
4-[(4-carboxy-2-thiophen-2-ylphenyl)disulfanyl]-3-thiophen-2-ylbenzoic acid
CID 150011049
3,5-dimethoxy-4-thiophen-2-ylbenzoic acid
CID 16768733
3-thiophen-2-ylfuran-2-carboxylic acid
CID 8893249
5-(2-thiophen-2-ylethoxymethyl)furan-3-carboxylic acid
CID 62268855
2-amino-5-thiophen-2-ylbenzoic acid
CID 16768750
6-thiophen-2-ylpyridine-3-carboxylic acid
CID 15411144
1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid
CID 102543851
5-(1-thiophen-2-ylpropylcarbamoyl)furan-3-carboxylic acid
CID 113432279
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid
CID 43214269
3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-ylfuran-3-carboxylic acid?
The IUPAC name of 5-thiophen-2-ylfuran-3-carboxylic acid (CID 127019923) is 5-thiophen-2-ylfuran-3-carboxylic acid.
What is the SMILES notation for 5-thiophen-2-ylfuran-3-carboxylic acid?
The canonical SMILES for 5-thiophen-2-ylfuran-3-carboxylic acid is O=C(O)c1coc(-c2cccs2)c1.
What is the InChIKey of 5-thiophen-2-ylfuran-3-carboxylic acid?
The InChIKey is CUOQPZSYPYURGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O3S/c10-9(11)6-4-7(12-5-6)8-2-1-3-13-8/h1-5H,(H,10,11).
What are the key properties of 5-thiophen-2-ylfuran-3-carboxylic acid?
5-thiophen-2-ylfuran-3-carboxylic acid has a molecular weight of 194.21 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-ylfuran-3-carboxylic acid is sourced from PubChem (CID 127019923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).