3-(trimethylsilyl)propane-1-sulfonic acid (CHEBI:85362)

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ChEBI Name	3-(trimethylsilyl)propane-1-sulfonic acid

ChEBI ID	CHEBI:85362

Definition	An alkanesulfonic acid that is propanesulfonic acid substituted at position 3 by a trimethylsilyl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Philippe Rocca-Serra

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Formula

C6H16O3SSi

Net Charge

Average Mass

196.340

Monoisotopic Mass

196.05894

InChI

InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)

InChIKey

TVZRAEYQIKYCPH-UHFFFAOYSA-N

SMILES

C[Si](CCCS(O)(=O)=O)(C)C

Roles Classification
Chemical Role(s):	NMR chemical shift reference compound Any compound that produces a peak used to reference an NMR spectrum during data pre-processing.

Application(s):	NMR chemical shift reference compound Any compound that produces a peak used to reference an NMR spectrum during data pre-processing.

ChEBI Ontology
Outgoing	3-(trimethylsilyl)propane-1-sulfonic acid (CHEBI:85362) has role NMR chemical shift reference compound (CHEBI:228364) 3-(trimethylsilyl)propane-1-sulfonic acid (CHEBI:85362) is a alkanesulfonic acid (CHEBI:47901) 3-(trimethylsilyl)propane-1-sulfonic acid (CHEBI:85362) is a organosilicon compound (CHEBI:25713) 3-(trimethylsilyl)propane-1-sulfonic acid (CHEBI:85362) is conjugate acid of 3-(trimethylsilyl)propane-1-sulfonate (CHEBI:228806)

Incoming	3-(trimethylsilyl)-1-propanesulfonic acid-d6 (CHEBI:144039) is a 3-(trimethylsilyl)propane-1-sulfonic acid (CHEBI:85362) 3-(trimethylsilyl)propane-1-sulfonate (CHEBI:228806) is conjugate base of 3-(trimethylsilyl)propane-1-sulfonic acid (CHEBI:85362)

IUPAC Name

3-(trimethylsilyl)propane-1-sulfonic acid

Synonyms	Sources
2,2-dimethyl-2-silapentane-5-sulfonic acid	ChEBI
4,4-dimethyl-4-silapentane-1-sulfonic acid	ChEBI
DSS	SUBMITTER

Last Modified

10 January 2024