4-Mercaptobenzoic acid (C7H6O2S)

4-Mercaptobenzoic acid presents a C7 framework, aromatic rings, a carboxylic acid (formula C7H6O2S, CAS 1074-36-8). ChemicalHelper Reaction can propose ranked disconnections for 4-Mercaptobenzoic acid from the SMILES O=C(O)c1ccc(S)cc1.

Target: 4-Mercaptobenzoic acid
CAS: 1074-36-8
Formula: C7H6O2S
Approx. MW: 154.18
SMILES: O=C(O)c1ccc(S)cc1
PubChem CID: 95738
Approx. carbons: C7

4-Mercaptobenzoic acid structure

Properties

Molecular weight: 154.18

View on PubChem

4-Mercaptobenzoic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 4-Mercaptobenzoic acid?

4-Mercaptobenzoic acid has molecular formula C7H6O2S. Molecular weight about 154.18 g·mol⁻¹.

What is the CAS number of 4-Mercaptobenzoic acid?

The CAS Registry Number for 4-Mercaptobenzoic acid is 1074-36-8.

Run AI retrosynthesis for 4-Mercaptobenzoic acid Target catalog AI tools overview

Open the planner with 4-Mercaptobenzoic acid preloaded, then keep routes that match CAS 1074-36-8.

Related targets

Similar compounds

1-Methyl-L-histidine 4-(Chlorosulfonyl)benzoic acid 4-Bromo-2-chlorobenzoic acid 4-Bromobenzoic acid 4-Fluorobenzoic Acid Benzoic Acid

Browse the full target catalog

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.