Trimethylsulfonium
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Basic information
- CAS
676-84-6- Standard SMILES
C[S+](C)C- InChIKey
NRZWQKGABZFFKE-UHFFFAOYSA-N- Molecular formula
- C3H9S+
- Average molar mass
- 77.17 g/mol
- Monoisotopic mass
- 77.04249646
Overview
Trimethylsulfonium is a sulfonium compound in which the substituents on sulfur are three methyl groups. It is found in the midgut gland of the sea hare, Aplysia brasiliana, and exhibits probable ability to inhibit cholinergic responses. It has a role as an animal metabolite.
Names & identifiers
- Preferred name
- Trimethylsulfonium
- IUPAC
- trimethylsulfanium
- English name
- trimethylsulfonium
- Molecular formula
- C3H9S+
- Molecular weight
- 77.16
Names & synonyms
Trimethylsulfonium676-84-6Trimethylsulphonium chloride8U5M0SJV65CHEBI:17434DTXSID50862857RefChem:933458DTXCID30201745trimethylsulfaniumtrimethyl sulfoniumUNII-8U5M0SJV65AI3-62267
Show more names
Trimethylsulfonium chloride
CHEMBL25340Sulfonium, trimethyl-IODO-GLUTIONAL IONtrimethyl-Sulfonium bromideTrimethyl-sulfonium; iodideNCIOpen2_007959TRIMETHYLSULFONIUM IONSCHEMBL19565
Database identifiers
- CAS
676-84-6- PubChem CID
- 1147
- DTXSID
DTXSID50862857- ChEMBL
CHEMBL1237171、CHEMBL25340- ChEBI
CHEBI:17434- UNII
- 8U5M0SJV65
- Nikkaji
- J257.549C
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 1
- Complexity
- 8
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 162 · 162-167°C
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- FDA UNII
- 8 U5M0SJV65 · 8U5M0SJV65
Chemistry & industry
Applications
UsesTrimethylsulfonium Chloride is used as a reagent in the preparation of spirastrellolide A Me ester via Suzuki coupling, Yamaguchi lactonization, Julia-Kocienski olefination, bond cleavage, and ozonolysis, its antitumor activity, and SAR with truncated variants.
Additional notes
DefinitionChEBI: A sulfonium compound in which the substituents on sulfur are three methyl groups. It is found in the midgut gland of the sea hare, Aplysia brasiliana, and exhibits probable ability to inhibit cholinergic responses.
Related reactions
88 records
Compound notes
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