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

C9H6O3S — CID 8893249

IUPAC3-thiophen-2-ylfuran-2-carboxylic acid
SMILESO=C(O)c1occc1-c1cccs1
InChIInChI=1S/C9H6O3S/c10-9(11)8-6(3-4-12-8)7-2-1-5-13-7/h1-5H,(H,10,11)
InChIKeyXZTAKFJRLCCXHR-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.71
Rot. Bonds2

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

3-thiophen-2-ylfuran-2-carboxylic acid (PubChem CID 8893249) has the molecular formula C9H6O3S and a molecular weight of 194.21 g/mol. Its IUPAC name is 3-thiophen-2-ylfuran-2-carboxylic acid.

Molecular Properties

Compound Name3-thiophen-2-ylfuran-2-carboxylic acid
PubChem CID8893249
Molecular FormulaC9H6O3S
Molecular Weight194.21 g/mol
Exact Mass194.00
IUPAC Name3-thiophen-2-ylfuran-2-carboxylic acid
SMILESO=C(O)c1occc1-c1cccs1
InChIInChI=1S/C9H6O3S/c10-9(11)8-6(3-4-12-8)7-2-1-5-13-7/h1-5H,(H,10,11)
InChIKeyXZTAKFJRLCCXHR-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

3-hydroxy-1-(3-thiophen-2-ylfuran-2-yl)-3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
CID 174449645
2-methyl-6-thiophen-2-ylbenzoic acid
CID 53224798
4-methyl-6-thiophen-2-ylbenzene-1,3-dicarboxylic acid
CID 150937146
(3-thiophen-2-ylfuran-2-yl)methanamine
CID 82503651
[2-(2-methoxyanilino)-2-oxoethyl] 3-thiophen-2-ylfuran-2-carboxylate
CID 9453700
5-thiophen-2-ylfuran-3-carboxylic acid
CID 127019923
3-(4-chlorophenyl)furan-2-carboxylic acid
CID 43153224
4-fluoro-3-thiophen-2-ylbenzoic acid
CID 52984079
2-thiophen-2-yl-1H-imidazole-5-carboxylic acid
CID 62252826
5-iodo-2-thiophen-2-ylbenzoic acid
CID 10087991
3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carboxylic acid
CID 61451664
4-[(4-carboxy-2-thiophen-2-ylphenyl)disulfanyl]-3-thiophen-2-ylbenzoic acid
CID 150011049

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylfuran-2-carboxylic acid?
The IUPAC name of 3-thiophen-2-ylfuran-2-carboxylic acid (CID 8893249) is 3-thiophen-2-ylfuran-2-carboxylic acid.
What is the SMILES notation for 3-thiophen-2-ylfuran-2-carboxylic acid?
The canonical SMILES for 3-thiophen-2-ylfuran-2-carboxylic acid is O=C(O)c1occc1-c1cccs1.
What is the InChIKey of 3-thiophen-2-ylfuran-2-carboxylic acid?
The InChIKey is XZTAKFJRLCCXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O3S/c10-9(11)8-6(3-4-12-8)7-2-1-5-13-7/h1-5H,(H,10,11).
What are the key properties of 3-thiophen-2-ylfuran-2-carboxylic acid?
3-thiophen-2-ylfuran-2-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 3-thiophen-2-ylfuran-2-carboxylic acid is sourced from PubChem (CID 8893249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).