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Succinobucol

CAT: 0926-FS27918-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FS27918-02Size:10 mg
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CAS Number
216167-82-7
Synonyms
Butanedioic acid 1-[4-[[1-[[3,5-bis (1 ,1-dimethylethyl) -4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis (1 ,1-dimethylethyl) phenyl] ester
MDL Number
MFCD08690469
Smiles
CC (C) (C) C1=CC (=CC (=C1O) C (C) (C) C) SC (C) (C) SC2=CC (=C (C (=C2) C (C) (C) C) OC (=O) CCC (=O) O) C (C) (C) C
Molecular Formula
C35H52O5S2
Molecular Weight
616.92 g/mol
Controlled
No

Chemical Information

Succinobucol

Succinobucol is a member of phenols and a benzoate ester.

CAS Number216167-82-7
PubChem CID216325
IUPAC Name4-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]-4-oxobutanoic acid
Molecular FormulaC35H52O5S2
Molecular Weight616.9
XLogP10.9
Topological Polar Surface Area134
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Heavy Atom Count42
Formal Charge0
Complexity870
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)OC(=O)CCC(=O)O)C(C)(C)C
InChI
InChI=1S/C35H52O5S2/c1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)41-35(13,14)42-22-19-25(33(7,8)9)30(26(20-22)34(10,11)12)40-28(38)16-15-27(36)37/h17-20,39H,15-16H2,1-14H3,(H,36,37)
InChIKey
RKSMVPNZHBRNNS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Succinobucol
CAS: 216167-82-7
CID: 216325
Formula: C35H52O5S2
MW: 616.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight616.9
XLogP310.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Exact Mass616.32561710
Monoisotopic Mass616.32561710
Topological Polar Surface Area134 Ų
Heavy Atom Count42
Formal Charge0
Complexity870
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-14937-01Succinobucol
HY-14937R-01Succinobucol (Standard)
A21251-100Succinobucol 100mg
A21251-10Succinobucol 10mg
A21251-200Succinobucol 200mg
A21251-50Succinobucol 50mg
A21251-25Succinobucol 25mg
A21251-5Succinobucol 5mg
466563-01Succinobucol Benzyl Ester

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