2-Oxo-3,3-dimethylbutyl-thiacyclopentanium trifluoromethanesulfonate

HCID 18175940
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Basic information

Standard SMILES
CC(C)(C)C(=O)C[S+]1CCCC1.O=S(=O)([O-])C(F)(F)F
InChIKey
WAUUKUPCFAKZOU-UHFFFAOYSA-M
Molecular formula
C11H19F3O4S2
Average molar mass
336.4 g/mol

Names & identifiers

Preferred name
2-Oxo-3,3-dimethylbutyl-thiacyclopentanium trifluoromethanesulfonate
IUPAC
3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;trifluoromethanesulfonate

Names & synonyms

2-oxo-3,3-dimethylbutyl-thiacyclopentanium trifluoromethanesulfonateSCHEMBL6550389

Database identifiers

PubChem CID
18175940

Properties

Computed structural properties

Topological polar surface area
83.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
20

Related reactions

1 records
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Compound notes

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