Propyl p-toluenesulfonate (C10H14O3S)

Propyl p-toluenesulfonate presents a C10 framework, aromatic rings (formula C10H14O3S, CAS 599-91-7). ChemicalTool Reaction can propose ranked disconnections for Propyl p-toluenesulfonate from the SMILES CCCOS(=O)(=O)c1ccc(C)cc1.

Target: Propyl p-toluenesulfonate
CAS: 599-91-7
Formula: C10H14O3S
Approx. MW: 214.28
SMILES: CCCOS(=O)(=O)c1ccc(C)cc1
PubChem CID: 69035
Approx. carbons: C10

Propyl p-toluenesulfonate structure

Properties

IUPAC name: propyl 4-methylbenzenesulfonate
Common names: Propyl p-toluenesulfonate; 599-91-7; Propyl 4-methylbenzenesulfonate; Propyl tosylate; Propyl toluene-4-sulphonate; Benzenesulfonic acid, 4-methyl-, propyl ester; p-Toluenesulfonic acid, propyl ester; PROPYL 4-TOLUENESULFONATE; CCRIS 9150; G4M5N22X54
Molecular weight: 214.28
Exact mass: 214.07
InChIKey: JTTWNTXHFYNETH-UHFFFAOYSA-N

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Propyl p-toluenesulfonate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Propyl p-toluenesulfonate?

Propyl p-toluenesulfonate has molecular formula C10H14O3S. Molecular weight about 214.28 g·mol⁻¹.

What is the CAS number of Propyl p-toluenesulfonate?

The CAS Registry Number for Propyl p-toluenesulfonate is 599-91-7.

Run AI retrosynthesis for Propyl p-toluenesulfonate Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C10H14O3S.

Related targets

Similar compounds

Butyl Benzenesulfonate (Phenylthiomethyl)trimethylsilane 1-(2-ethoxyphenyl)ethanone 1-Allyloxy-4-Methoxybenzene 1-Amino-2-naphthol-4-sulfonic acid 1-Amino-4-bromonaphthalene

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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.