4,4'-THIOBIS(2-TERT-BUTYL-5-METHYLPHENOL)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H30O2S
Molecular Weight	358.537
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,4'-THIOBIS(2-TERT-BUTYL-5-METHYLPHENOL)

Structure Search

SMILES

CC1=CC(O)=C(C=C1SC2=C(C)C=C(O)C(=C2)C(C)(C)C)C(C)(C)C

InChI

InChIKey=HXIQYSLFEXIOAV-UHFFFAOYSA-N

InChI=1S/C22H30O2S/c1-13-9-17(23)15(21(3,4)5)11-19(13)25-20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3

HIDE SMILES / InChI

Molecular Formula	C22H30O2S
Molecular Weight	358.537
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Steroid hormone activity of flavonoids and related compounds.	2000 Jul	10989984
Chemical-induced atrial thrombosis in NTP rodent studies.	2005	16048847
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524
Identification of phenolic dermal sensitizers in a wound closure tape.	2007 Oct	18958741
A proton spin-lattice relaxation rate study of methyl and t-butyl group reorientation in the solid state.	2010 Jul	20605083

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:22:54 GMT 2023` Edited by `admin` on `Fri Dec 15 18:22:54 GMT 2023`
Record UNII	3CA5G9822V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4,4'-THIOBIS(2-TERT-BUTYL-5-METHYLPHENOL)

Systematic Name

English

SUMILIZER WX

Brand Name

English

4,4-THIO-BIS-2-TERTBUTYL-5-METHYLPHENOL

Common Name

English

SANTONOX

Brand Name

English

4,4'-THIOBIS(6-TERT-BUTYL-M-CRESOL)

Systematic Name

English

ULTRANOX 236

Brand Name

English

NSC-35388

Code

English

LOWINOX 44S36

Brand Name

English

THIOBIS(6-TERT-BUTYL-M-CRESOL), 4,4'-

Systematic Name

English

SANTONOX [HSDB]

Common Name

English

Code System Code Type Description

EVMPD

SUB77729