Basic information
- CAS
44743-29-5- Standard SMILES
C[S+](C)CCC(=O)O- InChIKey
DFPOZTRSOAQFIK-UHFFFAOYSA-O- Molecular formula
- C5H11O2S+
- Average molar mass
- 135.21 g/mol
- Monoisotopic mass
- 135.04797576
Overview
(2-carboxyethyl)(dimethyl)sulfonium is an organic molecular entity.
Names & identifiers
- Preferred name
- Sulfonium, (2-carboxyethyl)dimethyl-
- IUPAC
- 2-carboxyethyl(dimethyl)sulfanium
- English name
- 2-Carboxyethyldimethylsulfonium
- Molecular formula
- C5H11O2S+
- Molecular weight
- 135.2
Names & synonyms
44743-29-5Sulfonium, (2-carboxyethyl)dimethyl-(2-Carboxyethyl)dimethylsulfoniumDTXSID00196290RefChem:382599DTXCID101187813-(Dimethyl-Lambda~4~-Sulfanyl)propanoic AcidDQY2-carboxyethyl(dimethyl)sulfanium2-CarboxyethyldimethylsulfoniumSCHEMBL13110462-carboxyethyl(dimethyl)sulanium
Show more names
Dimethyl(2-carboxyethyl)sulfonium3-(Dimethylsulfonio)propionic acidDimethyl(3-oxo-3-hydroxypropyl)sulfonium
CHEBI:230554(2-carboxyethyl)(dimethyl)sulfoniumpropanoic acid, 3-dimethylsulfonio-(2-Carboxyethyl)di(methyl)sulfanium
Database identifiers
- CAS
44743-29-5- PubChem CID
- 23737
- DTXSID
DTXSID00196290- ChEBI
CHEBI:230554- Nikkaji
- J253.125I
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 1
- Complexity
- 80.5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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