Basic information
- CAS
35455-62-0- Standard SMILES
CC(C)(C)c1cc(C(C)(C)C)c(O)c(Sc2c(O)c(C(C)(C)C)cc(C(C)(C)C)c2O)c1O- InChIKey
JHCCIUPVUCVKIJ-UHFFFAOYSA-N- Molecular formula
- C28H42O4S
- Average molar mass
- 474.7 g/mol
- Monoisotopic mass
- 474.28038099
Names & identifiers
- Preferred name
- 1,3-Benzenediol, 2,2'-thiobis(4,6-bis(1,1-dimethylethyl)-
- IUPAC
- 4,6-ditert-butyl-2-(3,5-ditert-butyl-2,6-dihydroxyphenyl)sulfanylbenzene-1,3-diol
Names & synonyms
35455-62-02,2'-Thiobis-(4,6-di-tert-butylresorcinol)1,3-Benzenediol, 2,2'-thiobis(4,6-bis(1,1-dimethylethyl)-2,2'-Thiobis(4,6-bis(1,1-dimethylethyl)-1,3-benzenediol)DTXSID40188972RefChem:217782DTXCID001114632,2'-sulfanediylbis(4,6-di-tert-butylbenzene-1,3-diol)SCHEMBL887720
Database identifiers
- CAS
35455-62-0- PubChem CID
- 215326
- DTXSID
DTXSID40188972
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 543
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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