Isethionic acid (C2H6O4S)

Q: What is the chemical formula of Isethionic acid?

Isethionic acid has molecular formula C2H6O4S. Molecular weight about 126.13 g·mol⁻¹.

Q: What is the CAS number of Isethionic acid?

The CAS Registry Number for Isethionic acid is 107-36-8.

Looking for routes to Isethionic Acid? Isethionic Acid presents a C2 framework. Use the planner with prefilled SMILES, or copy O=S(=O)(O)CCO (CAS 107-36-8).

Target: Isethionic acid
CAS: 107-36-8
Formula: C2H6O4S
Approx. MW: 126.13
SMILES: O=S(=O)(O)CCO
PubChem CID: 7866
Approx. carbons: C2

Isethionic acid structure

Properties

IUPAC name: 2-hydroxyethanesulfonic acid
Common names: ISETHIONIC ACID; 107-36-8; 2-Hydroxyethanesulfonic acid; Hydroxyethylsulfonic acid; Ethanesulfonic acid, 2-hydroxy-; NSC-60516; 97J3QN9884; CHEBI:1157; DTXSID1041427; Acid, Isethionic
Molecular weight: 126.13
Exact mass: 126.00
InChIKey: SUMDYPCJJOFFON-UHFFFAOYSA-N
Melting point: < 25 °C

View on PubChem

Isethionic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Isethionic acid?

Isethionic acid has molecular formula C2H6O4S. Molecular weight about 126.13 g·mol⁻¹.

What is the CAS number of Isethionic acid?

The CAS Registry Number for Isethionic acid is 107-36-8.

Run AI retrosynthesis for Isethionic acid Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C2H6O4S.

Related targets

Similar compounds

Dimethyl Sulfate

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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.