Basic information
- CAS
847779-65-1- Standard SMILES
C[S+](C)CC(=O)N1CCc2ccccc21.[Cl-]- InChIKey
XAAUNACWSIMBAZ-UHFFFAOYSA-M- Molecular formula
- C12H16ClNOS
- Average molar mass
- 257.78 g/mol
- Monoisotopic mass
- 257.064113
Names & identifiers
- Preferred name
- Sulfonium, [2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]dimethyl-, chloride
- IUPAC
- [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-dimethylsulfanium chloride
Names & synonyms
Sulfonium, [2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]dimethyl-, chloride847779-65-1DTXSID10469508[2-(2,3-Dihydro-1H-indol-1-yl)-2-oxoethyl]di(methyl)sulfanium chloride
Database identifiers
- CAS
847779-65-1- PubChem CID
- 11615841
- DTXSID
DTXSID10469508
Properties
Computed structural properties
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…