Basic information
- CAS
52696-94-3- Standard SMILES
CC(C)(C)c1cc(CCCSCc2ccccc2)cc(C(C)(C)C)c1O- InChIKey
PLACMPJROCSYRF-UHFFFAOYSA-N- Molecular formula
- C24H34OS
- Average molar mass
- 370.6 g/mol
- Monoisotopic mass
- 370.23303671
Names & identifiers
- Preferred name
- Phenol, 2,6-bis(1,1-dimethylethyl)-4-[3-[(phenylmethyl)thio]propyl]-
- IUPAC
- 4-(3-benzylsulfanylpropyl)-2,6-ditert-butylphenol
Names & synonyms
52696-94-3Phenol, 2,6-bis(1,1-dimethylethyl)-4-[3-[(phenylmethyl)thio]propyl]-DTXSID103916384-[3-(BENZYLSULFANYL)PROPYL]-2,6-DI-TERT-BUTYLPHENOL
Database identifiers
- CAS
52696-94-3- PubChem CID
- 3343752
- DTXSID
DTXSID10391638- Nikkaji
- J2.076.058C
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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