2-Thiophenecarboxylic acid

• CAS: 527-72-0
• Catalog Number: ACM527720
• Category: Thiophenes
• Molecular Weight: 128.15g/mol
• Molecular Formula: C5H4O2S
• Synonyms: 2-Thenoic Acid; 2-Thiophenic Acid
• IUPAC Name: thiophene-2-carboxylic acid
• 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
• Solubility: 0.06 M
• Appearance: Light Brown Crystalline
• Complexity: 103
• Covalently-Bonded Unit Count: 1
• EC Number: 208-423-4
• Exact Mass: 127.993201g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 8
• LogP: 1.57 (LogP)
• Monoisotopic Mass: 127.993201g/mol
• NSC Number: 2188
• Rotatable Bond Count: 1
• UNII: 3FD00JX53J
• XLogP3: 1.6

Custom Q&A

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 Ų.

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.