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Basic information
- Standard SMILES
C[S+](C)CC(=O)c1ccc2c(c1)Sc1ccccc1O2- InChIKey
CUVBONDZZDMMCI-UHFFFAOYSA-N- Molecular formula
- C16H15O2S2+
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.05134706
Names & identifiers
- Preferred name
- Dimethyl-(2-oxo-2-phenoxathiin-2-yl-ethyl)sulfonium
- IUPAC
- dimethyl-(2-oxo-2-phenoxathiin-2-ylethyl)sulfanium
Names & synonyms
NSC691894dimethyl-(2-oxo-2-phenoxathiin-2-yl-ethyl)sulfoniumCHEMBL2008904NCI60_0330002-(Dimethyl-lambda~4~-sulfanyl)-1-(2-phenoxathiinyl)ethanone hydrochloride
Database identifiers
- PubChem CID
- 392080
- ChEMBL
CHEMBL2008904
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 1
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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