2-(Dimethyl-lambda(4)-sulfanyl)ethanesulfonic acid
Basic information
- CAS
53501-91-0- Standard SMILES
C[S+](C)CCS(=O)(=O)O- InChIKey
DGZZGIFKSGKPRY-UHFFFAOYSA-O- Molecular formula
- C4H11O3S2+
- Average molar mass
- 171.3 g/mol
- Monoisotopic mass
- 171.01496156
Names & identifiers
- Preferred name
- 2-(Dimethyl-lambda(4)-sulfanyl)ethanesulfonic acid
- IUPAC
- dimethyl(2-sulfoethyl)sulfanium
Names & synonyms
dimethyl(2-sulfoethyl)sulfanium2-(Dimethyl-lambda(4)-sulfanyl)ethanesulfonic acid53501-91-0UNII-SL5W70YY3KNSC 175811SL5W70YY3KNSC175811dimethyl(2-sulfoethyl)sulfoniumDTXSID602017182-(Dimethyl-.lambda.~4~-sulfanyl)ethanesulfonic acid
Database identifiers
- CAS
53501-91-0- PubChem CID
- 494162
- DTXSID
DTXSID60201718
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 1
- Complexity
- 153
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Compound notes
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