AG003FCP

3294-03-9 | 2,2-Thiodi(4-tert-octylphenol)

AG003FCP

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CAS Number	3294-03-9
Catalog Number	AG003FCP(AGN-PC-0JLQ9U)
Chemical Name	2,2-Thiodi(4-tert-octylphenol)
EC Number	221-959-3
IUPAC Name	2-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-4-(2,4,4-trimethylpentan-2-yl)phenol
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
InChI Key	WQYFETFRIRDUPJ-UHFFFAOYSA-N
MDL Number	MFCD00190577
Molecular Formula	C28H42O2S
Molecular Weight	442.6969
SMILES	OC1=CC=C(C(C)(C)CCCCC)C=C1SC2=CC(C(C)(C)CCCCC)=CC=C2O
Synonyms	3294-03-9, 2,2'-Thiobis(4-tert-octylphenol), 2,2'-Thiodi(4-tert-octylphenol), 2,2'-Thiobis[4-(1,1,3,3-tetramethylbutyl)phenol], Phenol, 2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)-, WQYFETFRIRDUPJ-UHFFFAOYSA-N, 2,2'-Thiobis(4-(1,1,3,3-tetramethylbutyl)phenol), W-106803, Phenol, 2,2'-thiobis(4-(1,1,3,3-tetramethylbutyl)-, ACMC-1CNWL, AC1L2RP0, AC1Q7DV5, SCHEMBL51667, DTXSID1062962, CTK4G9616, WQYFETFRIRDUPJ-UHFFFAOYSA-, 2,2'-thiobis(4-t-octylphenol), ZINC2556458, EINECS 221-959-3, 2,2\'-Thiodi(4-tert-octylphenol), ANW-13816, CT-475, MFCD00190577, AKOS001485466, 2,2'-Thio-bis-(4-tert-octylphenol), MCULE-1049545557, NCGC00336534-01, Bis(2-hydroxy-5-tert-octylphenyl) Sulfide, DB-048300, TC-102561, T1674, 7-Amino-4-hydroxy-3-naphthalenesulfonic acid, AB00629166-03, AB00629166-05, C-36793, SR-01000408141, SR-01000408141-1, I14-15057, Phenol,2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)-, 2,2'-thiobis(4-(2,4,4-trimethylpentan-2-yl)phenol), 2-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-4-(2,4,4-trimethylpen, 2-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-4-(2,4,4-trimethylpentan-2-yl)phenol, InChI=1/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, 2,2'-Thiodi, CID76798, AR-1D1857, 99346-89-1,

Complexity	519
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	442.291g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	442.702g/mol
Monoisotopic Mass	442.291g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	65.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	10.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319
Packing Group	\N
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code	\N

Certificate of Analysis

Lot Number