3-Thiopheneacetic acid (C6H6O2S)

3-Thiopheneacetic acid presents a C6 framework, aromatic rings, a carboxylic acid (formula C6H6O2S, CAS 6964-21-2). ChemicalTool Reaction can propose ranked disconnections for 3-Thiopheneacetic acid from the SMILES O=C(O)Cc1ccsc1.

Target: 3-Thiopheneacetic acid
CAS: 6964-21-2
Formula: C6H6O2S
Approx. MW: 142.17
SMILES: O=C(O)Cc1ccsc1
PubChem CID: 23404
Approx. carbons: C6

3-Thiopheneacetic acid structure

Properties

IUPAC name: 2-thiophen-3-ylacetic acid
Common names: 3-Thiopheneacetic acid; 6964-21-2; 3-Thienylacetic acid; 2-(thiophen-3-yl)acetic acid; 2-(3-thienyl)acetic acid; 3-thiophenacetic acid; thiophen-3-ylacetic acid; 3-Thiopheneethanoic acid; EINECS 230-166-1; BRN 0113622
Molecular weight: 142.18
Exact mass: 142.01
InChIKey: RCNOGGGBSSVMAS-UHFFFAOYSA-N

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3-Thiopheneacetic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 3-Thiopheneacetic acid?

3-Thiopheneacetic acid has molecular formula C6H6O2S. Molecular weight about 142.17 g·mol⁻¹.

What is the CAS number of 3-Thiopheneacetic acid?

The CAS Registry Number for 3-Thiopheneacetic acid is 6964-21-2.

Run AI retrosynthesis for 3-Thiopheneacetic acid Target catalog AI tools overview

Open the planner with 3-Thiopheneacetic acid preloaded, then keep routes that match CAS 6964-21-2.

Related targets

Similar compounds

3-Methyl-2-thiophenecarboxylic acid 1-Methyl-2-pyrrolecarboxylic acid 5-Methylpyrazine-2-carboxylic Acid 6-Hydroxynicotinic acid Dl-Histidine Isonicotinic Acid

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.