Dimethylsulfonioacetate
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Basic information
- CAS
4727-41-7- Standard SMILES
C[S+](C)CC(=O)[O-]- InChIKey
PSBDWGZCVUAZQS-UHFFFAOYSA-N- Molecular formula
- C4H8O2S
- Average molar mass
- 120.173 g/mol
- Monoisotopic mass
- 120.0245005
Names & identifiers
- Preferred name
- Dimethylsulfonioacetate
- IUPAC
- (Dimethylsulfaniumyl)acetate
- English name
- Sulfobetaine
- Molecular formula
- C4H8O2S
- Molecular weight
- 120.17
Names & synonyms
dimethylsulfonioacetateThiobetaineSULFOBETAINESULPHOBETAINEDMT SulfobetaineThalidomide Impurity 94727-41-7 Sulfobetaine2-dimethylsulfonioethanoateSulfobetaine hydrochloride（DMT)Sulfobetaine (Dimethylthetin, DMT)
Database identifiers
- CAS
4727-41-7- PubChem CID
- 160765
- DTXSID
DTXSID60197081- ChEBI
CHEBI:16471- UNII
- 8CVU22OCJW
- Nikkaji
- J431.612F
Properties
Physicochemical properties
- Melting point
- 241 · 241-242 °C(Solv: ethanol (64-17-5))
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 1.127 · 1.127±0.10(predicted)
- color
- White to Off-White
- InChI
- InChI=1S/C4H8O2S/c1-7(2)3-4(5)6/h3H2,1-2H3
- InChIKey
- PSBDWGZCVUAZQS-UHFFFAOYSA-N
- SMILES
- C([O-])(=O)C[S+](C)C
- FDA UNII
- 8 CVU22OCJW · 8CVU22OCJW
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesSulfobetaine Hydrochloride is HCl form of Sulfobetaine (CAS 4727-41-7) which is a zwitterionic metabolite involved in the osmoadaption of phytoplankton.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: (dimethylsulfonio)acetate is a sulfonium betaine. It is a conjugate base of a (carboxymethyl)(dimethyl)sulfonium.
Suppliers
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Related reactions
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Compound notes
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