chempirical

2,2′-Thiobis[4-(1,1,3,3-tetramethylbutyl)phenol]

C28H42O2SCAS 3294-03-9442.70 g/mol

Open in Covalent MOL file
OHSOH
PhenolSulfide

Properties

Molecular formula
C28H42O2S
Molar mass
442.70 g/mol
Exact mass
442.2906 Da
Melting point
132–134 °C
logP
8.68Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6

Identifiers

CAS number
3294-03-9
SMILES
CC(C)(C)CC(C)(C)c1ccc(O)c(Sc2cc(C(C)(C)CC(C)(C)C)ccc2O)c1
InChIKey
WQYFETFRIRDUPJ-UHFFFAOYSA-N
InChI
InChI=1S/C28H42O2S/c1-25(2,3)17-27(7,8)19-11-13-21(29)23(15-19)31-24-16-20(12-14-22(24)30)28(9,10)18-26(4,5)6/h11-16,29-30H,17-18H2,1-10H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Phenol, 2,2′-thiobis[4-(1,1,3,3-tetramethylbutyl)-
  • 2,2′-Dihydroxy-5,5′-di-tert-octyldiphenyl sulfide
  • 2,2′-Thiobis(4-tert-octylphenol)
  • 2,2′-Thiobis(p-tert-octylphenol)
  • Di[2-hydroxy-5-(tert-octyl)phenyl] sulfide
  • 2,2′-Thiobis[4-(1,1,3,3-tetramethyl-butyl)phenol]
  • 2,2′-Thiodi(4-tert-octylphenol)

Work with 2,2′-Thiobis[4-(1,1,3,3-tetramethylbutyl)phenol]

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-tert-Octylphenol140-66-953 % similar 2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole123307-21-152 % similar 2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole3147-75-952 % similar 2,5-Bis(1,1,3,3-tetramethylbutyl)-1,4-benzenediol903-19-550 % similar (1-Butanamine)[[2,2′-(thio-κS)bis[4-(1,1,3,3-tetramethylbutyl)phenolato-κO]](2-)]nickel14516-71-346 % similar Triton X-1009002-93-141 % similar Ethylene oxide-formaldehyde-4-(1,1,3,3-tetramethylbutyl)phenol copolymer25301-02-440 % similar Fenticlor97-24-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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