Basic information
- Standard SMILES
O=C(C[S+]1CCCC1)c1ccccc1- InChIKey
VMMIZNKPCLNGSS-UHFFFAOYSA-N- Molecular formula
- C12H15OS+
- Average molar mass
- 207.31 g/mol
Overview
1-(2-oxo-2-phenylethyl)tetrahydrothiophenium is an organic cation and a thiophenium compound.
Names & identifiers
- Preferred name
- 1-(2-Oxo-2-phenylethyl)tetrahydrothiophenium
- IUPAC
- 1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
Names & synonyms
1-(2-oxo-2-phenylethyl)tetrahydrothiophenium1-phenyl-2-(thiolan-1-ium-1-yl)ethanoneSCHEMBL98167CHEBI:48598Q27121279
Database identifiers
- PubChem CID
- 3774061
- ChEBI
CHEBI:48598- Nikkaji
- J1.217.539F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 1
- Complexity
- 190
Related reactions
2 records
Compound notes
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