AG002MSJ

23288-49-5 | 2,6-di-tert-butyl-4-({2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl}sulfanyl)phenol

AG002MSJ

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CAS Number	23288-49-5
Catalog Number	AG002MSJ(AGN-PC-09TCWL)
Chemical Name	2,6-di-tert-butyl-4-({2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl}sulfanyl)phenol
EC Number	245-560-9
IUPAC Name	2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol
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
InChI Key	FYPMFJGVHOHGLL-UHFFFAOYSA-N
MDL Number	MFCD00079281
Molecular Formula	C31H48O2S2
Molecular Weight	516.8416
SMILES	CC(SC1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1)(SC2=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C2)C
UNII	P3CTH044XJ
Synonyms	Biphenabid, DH 581, DH-581, DH581, Lorelco, Lurselle, Panavir, Probucol, Superlipid, probucol, 23288-49-5, Lorelco, Biphenabid, Bisphenabid, Lurselle, Bisbid, Lesterol, Lursell, Panavir, DH-581, Probucolum, Sinlestal, Probucolum [INN-Latin], DH 581, Acetone bis(3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole, 4,4'-(Isopropylidenedithio)bis(2,6-di-tert-butylphenol), UNII-P3CTH044XJ, NSC 86225, NSC 652160, Acetone, bis(3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole, CCRIS 7510, C31H48O2S2, EINECS 245-560-9, CHEMBL608, BRN 2026253, P3CTH044XJ, MLS000028492, CHEBI:8427, FYPMFJGVHOHGLL-UHFFFAOYSA-N, 4,4'-(propane-2,2-diyldisulfanediyl)bis(2,6-di-tert-butylphenol), NSC86225, 4,4'-[(1-Methylethylidene)bis(thio)]bis-[2,6-bis(1,1-dimethylethyl)phenol], MFCD00079281, NSC652160, 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol, 4,4'-(Isopropylidenedithio)bis(2, 6-di-tert-butylphenol), 4,4'-(Isopropylidenedithio)bis[2, 6-di-tert-butylphenol], 4,4'-(Isopropylidenedithio)bis[2,6-di-tert-butylphenol], NCGC00016777-01, Acetone, bis (3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole, SMR000058265, Superlipid, CAS-23288-49-5, 4,4'-(propane-2,2-diylbis(sulfanediyl))bis(2,6-di-tert-butylphenol), Phenol, 4,4'-[(1-methylethylidene)bis(thio)]bis[2,6-bis(1,1-dimethylethyl)-, DSSTox_CID_25440, DSSTox_RID_80881, DSSTox_GSID_45440, 2,6-di-tert-butyl-4-({2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl}sulfanyl)phenol, W-107409, 4,4'- (Isopropylidenedithio)bis(2,6-di-tert-butylphenol), 4,4'- (Isopropylidenedithio)bis(2, 6-di-tert-butylphenol), 2,6-bis(tert-butyl)-4-{1-[3,5-bis(tert-butyl)-4-hydroxyphenylthio]-isopropylth io}phenol, Phenol, 4,4'-((1-methylethylidene)bis(thio))bis(2,6-bis(1,1-dimethylethyl)-, Probucol [USAN:BAN:INN:JAN], SR-01000695447, LORELCO (TN), Serterol, Probucol,(S), Prestwick_408, ZERO/001429, Probucol [USAN:USP:INN:BAN:JAN], DE-3872, PubChem17621, Spectrum_001296, Opera_ID_1820, Prestwick0_000384, Prestwick1_000384, Prestwick2_000384, Prestwick3_000384, Spectrum2_001400, Spectrum3_001438, Spectrum4_000414, Spectrum5_001343, SCHEMBL4150, BSPBio_000567, BSPBio_003176, KBioGR_000708, KBioGR_002394, KBioSS_001776, KBioSS_002399, Probucol, analytical standard, DivK1c_000599, SPECTRUM1501109, Probucol (JP17/USP/INN), SPBio_001420, SPBio_002488, AC1L1J88, BPBio1_000625, GTPL7277, DTXSID2045440, CTK8G2582, HMS501N21, KBio1_000599, KBio2_001776, KBio2_002394, KBio2_004344, KBio2_004962, KBio2_006912, KBio2_007530, KBio3_002396, KBio3_002873, KS-00000XMC, cMAP_000039, NINDS_000599, HMS1569M09, HMS1921D21, HMS2092D05, HMS2096M09, HMS2233C08, HMS3655P19, HMS3713M09, Pharmakon1600-01501109, BCP06487, HY-B0388, ZINC1530755, Tox21_110605, BDBM50007260, BG0666, CCG-38986, NSC-86225, NSC757837, s2119, SBB001675, STK762566, AKOS001740866, Tox21_110605_1, API0003932, CS-2473, DB01599, KS-1459, MCULE-4445301513, NSC-652160, NSC-757837, IDI1_000599, Phenol, 4,4'-((1-methylethylidene)bis(thio))bis(2,6-bis(1,1-dimethylethyl))-, NCGC00016777-02, NCGC00016777-03, NCGC00016777-04, NCGC00016777-05, NCGC00016777-07, NCGC00016777-08, NCGC00094895-01, NCGC00094895-02, NCGC00094895-03, NCGC00094895-04, AK163570, CC-33926, CJ-24018, LS-13188, SC-47042, ST075698, SBI-0051640.P002, AB2000521, AB00052202, FT-0630498, P2002, SW196648-3, C07373, D00476, S-8042, AB00052202_14, AB00052202_15, 288P495, C-23041, Acetone,5-di-tert-butyl-4-hydroxyphenyl) mercaptole, SR-01000695447-2, SR-01000695447-3, BRD-K72029282-001-04-8, BRD-K72029282-001-15-4, I14-31835, Acetone bis(3,5-di-t-butyl-4-hydroxyphenyl) mercaptole, Z1551900339, Probucol, United States Pharmacopeia (USP) Reference Standard, Phenol,4'-[(1-methylethylidene)bis(thio)]bis[2,6-bis(1,1-dimethylethyl)-, 2,6-di-tert-butyl-4-(2-(3,5-di-tert-butyl-4-hydroxyphenylthio)propan-2-ylthio)phenol, 4,4'-[(1-methylethylidene)bis(thio)]bis[2,6-bis(1,1-dimethylethyl)phenol], 2,6-di(tert-butyl)-4-[(1-{[3,5-di(tert-butyl)-4-hydroxyphenyl]sulfanyl}-1-methylethyl)sulfanyl]phenol, 2,6-di(tert-butyl)-4-{1-[3,5-di(tert-butyl)-4-hydroxyphenylsulfanyl]-1-methylethylsulfanyl}phenol, 2,6-di(tert-butyl)-4-{1-[3,5-di(tert-butyl)-4-hydroxyphenylsulfanyl]-1-methylethylsulfanyl}phenol(probucol), 2,6-Di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydroxy-phenylsulfanyl)-1-methyl-ethylsulfanyl]-phenol, 2,6-Ditert-butyl-4-((1-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl]-1-methylethyl)sulfanyl)phenol #, 2,6-ditert-butyl-4-[1-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-methyl-ethyl]sulfanyl-phenol, null, phenbutol, Aventis Brand of Probucol, Hoechst Brand of Probucol, Almirall Brand of Probucol, D0H2DQ, 4,6-di-tert-butylphenol), 4,6-di-tert-butylphenol], Probucol (JAN/USP/INN), DH581, CID4912, Probucol [USAN:INN:BAN:JAN], C31-H48-O2-S2, B2015, A11751, D011341, 4,4'-[(1-methylethylidene)bis(thio)]bis[2,6-bis(1,1-dimethylethyl)-phenol, c1(O)c(cc(cc1C(C)(C)C)SC(C)(C)Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C,

Complexity	583
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	516.31g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	516.843g/mol
Monoisotopic Mass	516.31g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	91.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	11.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number