Basic information
- CAS
992-55-2- Standard SMILES
CCCCCCCCSc1nc(Oc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc(Oc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1- InChIKey
JMCKNCBUBGMWAY-UHFFFAOYSA-N- Molecular formula
- C39H59N3O4S
- Average molar mass
- 666 g/mol
- Monoisotopic mass
- 665.42262837
Names & identifiers
- Preferred name
- 4,4'-((6-(Octylthio)-1,3,5-triazine-2,4-diyl)bis(oxy))bis(2,6-di-tert-butylphenol)
- IUPAC
- 2,6-ditert-butyl-4-[[4-(3,5-ditert-butyl-4-hydroxyphenoxy)-6-octylsulfanyl-1,3,5-triazin-2-yl]oxy]phenol
- English name
- 4,4'-[[6-(octylthio)-1,3,5-triazine-2,4-diyl]bis(oxy)]bis[2,6-di-tert-butylphenol]
- Molecular formula
- C39H59N3O4S
- Molecular weight
- 665.97
Names & synonyms
4,4'-((6-(Octylthio)-1,3,5-triazine-2,4-diyl)bis(oxy))bis(2,6-di-tert-butylphenol)992-55-2EINECS 213-593-8RA 858SCHEMBL39436DTXSID90243984JMCKNCBUBGMWAY-UHFFFAOYSA-NNS00042630Q656532484,4'-{[6-(Octylsulfanyl)-1,3,5-triazine-2,4-diyl]bis(oxy)}bis(2,6-di-tert-butylphenol)2-N-OCTYLTHIO-4,6-BIS(4-HYDROXY-3,5-DI-TERT-BUTYLPHENOXY)-.2,4-bis(3,5-di-tert-butyl-4-hydroxyphenoxy)-6-(n-octylthio)-1,3,5-triazine
Show more names
4,4'-[[6-(octylthio)-1,3,5-triazine-2,4-diyl]bis(oxy)]bis[2,6-di-tert-butylphenol]2,2',6,6'-Tetra-tert-butyl-[4,4'-[[6-(octylthio)-1,3,5-triazine-2,4-diyl]bisoxy]bisphenol]Phenol, 4,4'-[[6-(octylthio)-1,3,5-triazine-2,4-diyl]bis(oxy)]bis[2,6-bis(1,1-dimethylethyl)-
Database identifiers
Properties
Computed structural properties
- XLogP
- 13.9
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 811
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
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Compound notes
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