2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine
Basic information
- CAS
18794-23-5- Standard SMILES
CC(=O)OC1C(SC(C)(C)C)C(c2ccccc2)=CC(SC(C)(C)C)N1C(C)=O- InChIKey
ZWFZFSUFGXNYAX-UHFFFAOYSA-N- Molecular formula
- C23H33NO3S2
- Average molar mass
- 435.6 g/mol
- Monoisotopic mass
- 435.19018626
Names & identifiers
- Preferred name
- 2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine
- IUPAC
- [1-acetyl-3,6-bis(tert-butylsulfanyl)-4-phenyl-3,6-dihydro-2H-pyridin-2-yl] acetate
- English name
- 2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine
- Molecular weight
- 0
Names & synonyms
18794-23-5[1-acetyl-3,6-bis(tert-butylsulfanyl)-4-phenyl-3,6-dihydro-2H-pyridin-2-yl] acetateZWFZFSUFGXNYAX-UHFFFAOYSA-N2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine2-Pyridinol, 1-acetyl-3,6-bis(tert-butylthio)-1,2,3,6-tetrahydro-4-phenyl-, acetate (ester)DTXSID8013471221-Acetyl-2-acetoxy-4-phenyl-3,6-di-t-butylmercapto-1,2,3,6-tetrahydropyridine1-Acetyl-3,6-bis(tert-butylsulfanyl)-4-phenyl-1,2,3,6-tetrahydro-2-pyridinyl acetate #2-ACETOXY-1-ACETYL-3,6-DI-TERT-BUTYLMERCAPTO-4-PHENYL-1,2,3,6-TETRAHYDROPYRIDINE1-Acetyl-3,6-bis(tert-butylthio)-1,2,3,6-tetrahydro-4-phenyl-2-pyridinol acetate
Database identifiers
- CAS
18794-23-5- PubChem CID
- 593754
- DTXSID
DTXSID801347122- Nikkaji
- J46.742A
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 627
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Related reactions
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Compound notes
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