1-(Ethylsulfanyl)-1-phenyltetradecan-3-one
Basic information
- CAS
77921-32-5- Standard SMILES
CCCCCCCCCCCC(=O)CC(SCC)c1ccccc1- InChIKey
AOBJSLNYGONCQA-UHFFFAOYSA-N- Molecular formula
- C22H36OS
- Average molar mass
- 348.6 g/mol
- Monoisotopic mass
- 348.24868694
Names & identifiers
- Preferred name
- 1-(Ethylsulfanyl)-1-phenyltetradecan-3-one
- IUPAC
- 1-ethylsulfanyl-1-phenyltetradecan-3-one
Names & synonyms
77921-32-5NSC3114461-(Ethylsulfanyl)-1-phenyltetradecan-3-oneDTXSID90317134NSC-311446
Database identifiers
- CAS
77921-32-5- PubChem CID
- 329353
- DTXSID
DTXSID90317134
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 296
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Compound notes
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