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C31H48O2S2CAS 23288-49-5516.84 g/mol

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SOHSHO
PhenolSulfide

Properties

Molecular formula
C31H48O2S2
Molar mass
516.84 g/mol
Exact mass
516.3096 Da
Melting point
125 °C
logP
9.91Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
23288-49-5
SMILES
CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIKey
FYPMFJGVHOHGLL-UHFFFAOYSA-N
InChI
InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3

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Names and synonyms

18 names · show all
  • Phenol, 4,4′-[(1-methylethylidene)bis(thio)]bis[2,6-bis(1,1-dimethylethyl)-
  • Acetone, bis(3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole
  • Phenol, 4,4′-(isopropylidenedithio)bis[2,6-di-tert-butyl-
  • 4,4′-[(1-Methylethylidene)bis(thio)]bis[2,6-bis(1,1-dimethylethyl)phenol
  • DH 581
  • 4,4′-(Isopropylidenedithio)bis[2,6-di-tert-butylphenol]
  • Biphenabid
  • Bisbid
  • Bisphenabid
  • Lorelco
  • Lurselle
  • Lipomal
  • Phenbutol
  • Panavir
  • Sinlestal
  • NSC 652160
  • NSC 86225
  • 2,6-Di-tert-butyl-4-([2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl]sulfanyl)phenol

Work with Probucol

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

2,4,6-Tri-tert-butylphenol732-26-355 % similar Butylated hydroxytoluene128-37-053 % similar Antioxidant 73696-66-253 % similar 4-Bromo-2,6-di-tert-butylphenol1139-52-252 % similar 4,4'-Methylenebis(2,6-di-tert-butylphenol)118-82-152 % similar 2,6-Bis(1,1-dimethylethyl)-4-mercaptophenol950-59-452 % similar 2,6-Di-tert-butyl-4-ethylphenol4130-42-148 % similar 2,6-Di-tert-butyl-4-methoxyphenol489-01-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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