Probucol Impurity 15

CAT: 1299-RM-P184315-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P184315-02Size:25 mg

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CAS Number

2093160-06-4

Synonyms

2,6-di-tert-butyl-4- ((3,5-di-tert-butyl-2-hydroxyphenyl) disulfaneyl) phenol

Molecular Formula

C28H42O2S2

Molecular Weight

474.76

Target Alternative Name

Probucol

Product Name Synonym

2,6-di-tert-butyl-4- ((3,5-di-tert-butyl-2-hydroxyphenyl) disulfaneyl) phenol

Chemical Information

2,4-Ditert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)disulfanyl]phenol

CAS Number	2093160-06-4
PubChem CID	149502229
IUPAC Name	2,4-ditert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)disulfanyl]phenol
Molecular Formula	C28H42O2S2
Molecular Weight	474.8
XLogP	10
Topological Polar Surface Area	91.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	32
Formal Charge	0
Complexity	581

SMILES

CC(C)(C)C1=CC(=C(C(=C1)SSC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C28H42O2S2/c1-25(2,3)17-13-19(26(4,5)6)24(30)22(14-17)32-31-18-15-20(27(7,8)9)23(29)21(16-18)28(10,11)12/h13-16,29-30H,1-12H3

InChIKey

ZHFHBIXSZUQNSN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2093160-06-4

CID: 149502229

Formula: C28H42O2S2

MW: 474.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	474.8
XLogP3	10
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	474.26262293
Monoisotopic Mass	474.26262293
Topological Polar Surface Area	91.1 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	581
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-P32610-01	Probucol Impurity 1
B2015-S	Probucol