3-(Methylthio)benzoic acid (C8H8O2S)

Looking for routes to 3-(Methylthio)benzoic acid? 3-(Methylthio)benzoic acid presents a C8 framework, aromatic rings, a carboxylic acid. Use the planner with prefilled SMILES, or copy CSc1cccc(C(=O)O)c1 (CAS 825-99-0).

Target: 3-(Methylthio)benzoic acid
CAS: 825-99-0
Formula: C8H8O2S
Approx. MW: 168.21
SMILES: CSc1cccc(C(=O)O)c1
PubChem CID: 220329
Approx. carbons: C8

3-(Methylthio)benzoic acid structure

Properties

Molecular weight: 168.21

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3-(Methylthio)benzoic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 3-(Methylthio)benzoic acid?

3-(Methylthio)benzoic acid has molecular formula C8H8O2S. Molecular weight about 168.21 g·mol⁻¹.

What is the CAS number of 3-(Methylthio)benzoic acid?

The CAS Registry Number for 3-(Methylthio)benzoic acid is 825-99-0.

Run AI retrosynthesis for 3-(Methylthio)benzoic acid Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C8H8O2S.

Related targets

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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.