Mdl 29311
Basic information
- CAS
129895-82-5- Standard SMILES
CC(C)(C)c1cc(SCSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O- InChIKey
GAABJUNZYPATIQ-UHFFFAOYSA-N- Molecular formula
- C29H44O2S2
- Average molar mass
- 488.8 g/mol
- Monoisotopic mass
- 488.27827265
Overview
structure given in first source
Names & identifiers
- Preferred name
- Mdl 29311
- IUPAC
- 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol
- English name
- MDL 29311
- Molecular formula
- C29H44O2S2
- Molecular weight
- 488.79
Names & synonyms
MDL-29311Mdl 29311129895-82-5Mdl 29,311DTXSID90156262RefChem:156144DTXCID90787532,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethylsulfanyl]phenolCHEMBL102729SCHEMBL56921874,4'-(Methylenebis(thio))bis(2,6-bis(1,1-dimethylethyl))phenol4,4'-[Methylenebis(sulfanediyl)]bis(2,6-di-tert-butylphenol)
Show more names
4,4'-(Methylenebisthio)bis(2,6-di-tert-butylphenol)4,4''-(methylenebis(sulfanediyl))bis(2,6-di-tert-butylphenol)Phenol, 4,4'-[methylenebis(thio)]bis[2,6-bis(1,1-dimethylethyl)- (9CI)4,4'-(methylenebis(sulfanediyl))bis(2,6-di4,4'-(methylenebis(sulfanediyl))bis(2,6-di-tert-butylphenol)-tert-butylphenol)
Phenol, 4,4'-(methylenebis(thio))bis(2,6-bis(1,1-dimethylethyl)-
Database identifiers
- CAS
129895-82-5- PubChem CID
- 131127
- DTXSID
DTXSID90156262- ChEMBL
CHEMBL102729- Nikkaji
- J360.911A
Properties
Computed structural properties
- XLogP
- 10.7
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 517
Chemistry & industry
Applications
DescriptionMDL29311 is an analogue of probucol with antioxidant activity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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