What is the molecular formula of 2-Thiophenecarboxylic acid?

The molecular formula of 2-Thiophenecarboxylic acid is C5H4O2S.

When was 2-Thiophenecarboxylic acid first created?

2-Thiophenecarboxylic acid was first created on March 26, 2005.

What is the molecular weight of 2-Thiophenecarboxylic acid?

The molecular weight of 2-Thiophenecarboxylic acid is 128.15 g/mol.

What is the IUPAC name of 2-Thiophenecarboxylic acid?

The IUPAC name of 2-Thiophenecarboxylic acid is thiophene-2-carboxylic acid.

What is the Canonical SMILES representation of 2-Thiophenecarboxylic acid?

The Canonical SMILES representation of 2-Thiophenecarboxylic acid is C1=CSC(=C1)C(=O)O.

What is the InChIKey of 2-Thiophenecarboxylic acid?

The InChIKey of 2-Thiophenecarboxylic acid is QERYCTSHXKAMIS-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does 2-Thiophenecarboxylic acid have?

2-Thiophenecarboxylic acid has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of 2-Thiophenecarboxylic acid?

The topological polar surface area of 2-Thiophenecarboxylic acid is 65.5 Å².

What is the complexity value of 2-Thiophenecarboxylic acid?

The complexity value of 2-Thiophenecarboxylic acid is 103.

How many defined atom stereocenters does 2-Thiophenecarboxylic acid have?

2-Thiophenecarboxylic acid has 0 defined atom stereocenters.

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2-Thiophenecarboxylic acid

Name: 2-Thiophenecarboxylic acid
SKU: ACM527720
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Catalog NumberACM527720

CAS Number527-72-0

CategoryElectroluminescence Materials

Synonyms

2-Thenoic Acid; 2-Thiophenic Acid

IUPAC Name

thiophene-2-carboxylic acid

Molecular Weight

128.15g/mol

Molecular Formula

C5H4O2S

Canonical SMILES

C1=CSC(=C1)C(=O)O

InChI

InChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)

InChI Key

QERYCTSHXKAMIS-UHFFFAOYSA-N

Boiling Point

260 °C

Melting Point

129.5 °C

Purity

98%

Solubility

0.06 M

Appearance

Light Brown Crystalline

Application

2-Thiophenecarboxylic acid is a versatile compound primarily utilized in the synthesis of pharmaceutical and biologically active substances. This light yellow crystalline powder dissolves readily in hot water, ethanol, and ether, and plays a significant role in both medicinal and industrial applications. The compound serves as a starting material for several drugs, such as tiaprofenic acid, and is integral in producing antibacterial agents like nifurzide through its derivatives. Additionally, the sodium salt form of 2-Thiophenecarboxylic acid is used in treating influenza and as a lubricating oil thickener, highlighting its diverse utility. Furthermore, its potential as a carbon source for certain bacteria demonstrates its ecological relevance.

Complexity

103

Covalently-Bonded Unit Count

EC Number

208-423-4

Exact Mass

127.993201g/mol

Formal Charge

Heavy Atom Count

Log P

1.57 (LogP)

MeSH Entry Terms

2-thiophencarboxylic acid;2-thiophene carboxylic acid;2-thiophenic acid;sodium thiophenecarboxylate;thiophene-2-carboxylate;thiophene-2-carboxylate, 2-(14)C-labeled;thiophene-2-carboxylate, sodium salt;thiophene-2-carboxylic acid

Monoisotopic Mass

127.993201g/mol

NSC Number

2188

Rotatable Bond Count

UNII

3FD00JX53J

XLogP3

1.6

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