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121846-89-7 | Phenol, 4,4'-[2,2'-bithiophene]-5,5'-diylbis[2,6-bis(1,1-dimethylethyl)-
CAS No: 121846-89-7 Catalog No: AG00165G MDL No:
Product Description
Catalog Number:
AG00165G
Chemical Name:
Phenol, 4,4'-[2,2'-bithiophene]-5,5'-diylbis[2,6-bis(1,1-dimethylethyl)-
CAS Number:
121846-89-7
Molecular Formula:
C36H46O2S2
Molecular Weight:
574.8792
IUPAC Name:
2,6-ditert-butyl-4-[5-[5-(3,5-ditert-butyl-4-hydroxyphenyl)thiophen-2-yl]thiophen-2-yl]phenol
InChI:
InChI=1S/C36H46O2S2/c1-33(2,3)23-17-21(18-24(31(23)37)34(4,5)6)27-13-15-29(39-27)30-16-14-28(40-30)22-19-25(35(7,8)9)32(38)26(20-22)36(10,11)12/h13-20,37-38H,1-12H3
InChI Key:
VLESHRDORBMYNS-UHFFFAOYSA-N
SMILES:
CC(c1cc(cc(c1O)C(C)(C)C)c1ccc(s1)c1ccc(s1)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C
Properties
Complexity:
725
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
574.294g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
574.882g/mol
Monoisotopic Mass:
574.294g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.3
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