3-Mercaptoisobutyric acid (C4H8O2S)

Looking for routes to 3-Mercaptoisobutyric acid? 3-Mercaptoisobutyric acid presents a C4 framework, a carboxylic acid. Use the planner with prefilled SMILES, or copy CC(CS)C(=O)O (CAS 26473-47-2).

Target: 3-Mercaptoisobutyric acid
CAS: 26473-47-2
Formula: C4H8O2S
Approx. MW: 120.17
SMILES: CC(CS)C(=O)O
PubChem CID: 152910
Approx. carbons: C4

3-Mercaptoisobutyric acid structure

Properties

Molecular weight: 120.17

View on PubChem

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

FAQ

What is the chemical formula of 3-Mercaptoisobutyric acid?

3-Mercaptoisobutyric acid has molecular formula C4H8O2S. Molecular weight about 120.17 g·mol⁻¹.

What is the CAS number of 3-Mercaptoisobutyric acid?

The CAS Registry Number for 3-Mercaptoisobutyric acid is 26473-47-2.

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

Open the planner with 3-Mercaptoisobutyric acid preloaded, then keep routes that match CAS 26473-47-2.

Related targets

Similar compounds

(+-)-Aspartic acid 2-(Bromomethyl)acrylic acid 2-(Trifluoromethyl)acrylic acid 2-amino-3-hydroxybutanoic acid 2-Aminobutyric acid 2-Aminoisobutyric acid

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References & tools

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