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26411-30-3

26411-30-3 | Phenol, 2,2'-thiobis[4,6-bis(1,1-dimethylethyl)-3-methyl-

CAS No: 26411-30-3 Catalog No: AG002T39 MDL No:

Product Description

Catalog Number:
AG002T39
Chemical Name:
Phenol, 2,2'-thiobis[4,6-bis(1,1-dimethylethyl)-3-methyl-
CAS Number:
26411-30-3
Molecular Formula:
C30H46O2S
Molecular Weight:
470.7500
IUPAC Name:
4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)sulfanyl-3-methylphenol
InChI:
InChI=1S/C30H46O2S/c1-17-19(27(3,4)5)15-21(29(9,10)11)23(31)25(17)33-26-18(2)20(28(6,7)8)16-22(24(26)32)30(12,13)14/h15-16,31-32H,1-14H3
InChI Key:
CIYZCKSPWRANFK-UHFFFAOYSA-N
SMILES:
Cc1c(Sc2c(C)c(cc(c2O)C(C)(C)C)C(C)(C)C)c(O)c(cc1C(C)(C)C)C(C)(C)C
EC Number:
247-680-7

Properties

Complexity:
588  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.322g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
470.756g/mol
Monoisotopic Mass:
470.322g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.7  

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