Basic information
- CAS
61503-23-9- Standard SMILES
Cc1ccc(C2CS(=O)(=O)c3ccccc32)cc1- InChIKey
AVUNSDUNKRNNRF-UHFFFAOYSA-N- Molecular formula
- C15H14O2S
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.07145086
Names & identifiers
- Preferred name
- Benzo[b]thiophene, 2,3-dihydro-3-(4-methylphenyl)-, 1,1-dioxide
- IUPAC
- 3-(4-methylphenyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
Names & synonyms
61503-23-9Benzo[b]thiophene, 2,3-dihydro-3-(4-methylphenyl)-, 1,1-dioxideDTXSID304855833-(4-Methylphenyl)-2,3-dihydro-1H-1lambda~6~-benzothiophene-1,1-dione
Database identifiers
- CAS
61503-23-9- PubChem CID
- 12296166
- DTXSID
DTXSID30485583
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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