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13314-01-7 | Phenol, 2,2'-thiobis[6-(1,1-dimethylethyl)-3-methyl-
CAS No: 13314-01-7 Catalog No: AG0014BN MDL No:
Product Description
Catalog Number:
AG0014BN
Chemical Name:
Phenol, 2,2'-thiobis[6-(1,1-dimethylethyl)-3-methyl-
CAS Number:
13314-01-7
Molecular Formula:
C22H30O2S
Molecular Weight:
358.5374
IUPAC Name:
6-tert-butyl-2-(3-tert-butyl-2-hydroxy-6-methylphenyl)sulfanyl-3-methylphenol
InChI:
InChI=1S/C22H30O2S/c1-13-9-11-15(21(3,4)5)17(23)19(13)25-20-14(2)10-12-16(18(20)24)22(6,7)8/h9-12,23-24H,1-8H3
InChI Key:
HJCNGGKJQATACT-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1Sc1c(C)ccc(c1O)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.197g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.54g/mol
Monoisotopic Mass:
358.197g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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