ChemicalBook--->CAS DataBase List--->1391054-68-4

1391054-68-4

1391054-68-4 Structure

1391054-68-4 Structure
IdentificationBack Directory
[Name]

4-[(3,5-Di-tert-butyl-2-hydroxyphenylthio)isopropylidenethio]-2,6-di-tert-butylphenol
[CAS]

1391054-68-4
[Synonyms]

Probucol USP RC C
4'-Deoxy-2'-hydroxy Probucol
Probucol USP Related Compound C
4'-Deoxy-2'-hydroxy Probucol DISCONTINUED
4-[(3,5-Di-tert-butyl-2-hydroxyphenylthio)isopropylidenethio]-2,6-di-tert-butylphenol
Probucol Related Compound C (4-[(3,5-di-tert-butyl-2-hydroxyphenylthio)isopropylidenethio]-2,6-di-t (1563342)
Phenol, 2-[[1-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-4,6-bis(1,1-dimethylethyl)-
4-[(3,5-Di-tert-butyl-2-hydroxyphenylthio)isopropylidenethio]-2,6-di-tert-butylphenol (4,4'-(propane-2,2-diylbis(sulfanediyl))bis(2,6-di-tert-butylphenol)/4'-?Deoxy-?2'-?hydroxy Probucol)
[Molecular Formula]

C31H48O2S2
[MDL Number]

MFCD28369369
[MOL File]

1391054-68-4.mol
[Molecular Weight]

516.84
Chemical PropertiesBack Directory
[Boiling point ]

539.7±50.0 °C(Predicted)
[density ]

1.07±0.1 g/cm3(Predicted)
[pka]

10.56±0.50(Predicted)
[Major Application]

pharmaceutical (small molecule)
[InChI]

InChI=1S/C31H48O2S2/c1-27(2,3)19-15-21(28(4,5)6)26(33)24(16-19)35-31(13,14)34-20-17-22(29(7,8)9)25(32)23(18-20)30(10,11)12/h15-18,32-33H,1-14H3
[InChIKey]

JFBAVBRCJKPJRP-UHFFFAOYSA-N
[SMILES]

C1(O)=C(C(C)(C)C)C=C(C(C)(C)C)C=C1SC(SC1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1)(C)C
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

2930902000
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

4’-Deoxy-2’-hydroxy Probucol is an impurity of the antilipemic, Probucol (P755100).
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