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Basic information
- Standard SMILES
C[S+](C)CC(=O)c1ccc2c(c1)Sc1ccccc1O2.[Cl-]- InChIKey
LXOUFCHEEYBSEC-UHFFFAOYSA-M- Molecular formula
- C16H15ClO2S2
- Average molar mass
- 338.9 g/mol
- Monoisotopic mass
- 338.0201998
Names & identifiers
- Preferred name
- Dimethyl-(2-oxo-2-phenoxathiin-2-ylethyl)sulfanium chloride
- IUPAC
- dimethyl-(2-oxo-2-phenoxathiin-2-ylethyl)sulfanium chloride
Names & synonyms
NSC691894CHEMBL1996439NSC-691894
Database identifiers
- PubChem CID
- 392079
- ChEMBL
CHEMBL1996439
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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