Sulfonium, dimethyl((tetrahydro-2H-pyran-2-yl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
Basic information
- CAS
80519-22-8- Standard SMILES
C[S+](C)CC1CCCCO1.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
UMZABZFEUXFEEZ-UHFFFAOYSA-M- Molecular formula
- C15H24O4S2
- Average molar mass
- 332.5 g/mol
- Monoisotopic mass
- 332.11160159
Names & identifiers
- Preferred name
- Sulfonium, dimethyl((tetrahydro-2H-pyran-2-yl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
- IUPAC
- dimethyl(oxan-2-ylmethyl)sulfanium;4-methylbenzenesulfonate
Names & synonyms
80519-22-8RefChem:382612Sulfonium, dimethyl((tetrahydro-2H-pyran-2-yl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)DTXSID801001297Sulfonium, dimethyl((tetrahydro-2H-pyran-2-yl)methyl)-, salt with 4- methylbenzenesulfonic acid (1:1)Dimethyl[(oxan-2-yl)methyl]sulfanium 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
80519-22-8- PubChem CID
- 3062276
- DTXSID
DTXSID801001297
Properties
Computed structural properties
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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