Basic information
- CAS
98204-53-6- Standard SMILES
c1ccc(C2COC3(CCCCC3)S2)cc1- InChIKey
NONKJJKJTGMGLU-UHFFFAOYSA-N- Molecular formula
- C14H18OS
- Average molar mass
- 234.36 g/mol
- Monoisotopic mass
- 234.10783637
Names & identifiers
- Preferred name
- 3-Phenyl-1-oxa-4-thiaspiro[4.5]decane
- IUPAC
- 3-phenyl-1-oxa-4-thiaspiro[4.5]decane
Names & synonyms
3-Phenyl-1-oxa-4-thiaspiro[4.5]decane98204-53-6DTXSID10541131
Database identifiers
- CAS
98204-53-6- PubChem CID
- 13448917
- DTXSID
DTXSID10541131- Nikkaji
- J775.412D
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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