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89520-09-2 | Phenol, 4,4'-thiobis[2-octyl-
CAS No: 89520-09-2 Catalog No: AG0040P3 MDL No:
Product Description
Catalog Number:
AG0040P3
Chemical Name:
Phenol, 4,4'-thiobis[2-octyl-
CAS Number:
89520-09-2
Molecular Formula:
C28H42O2S
Molecular Weight:
442.6969
IUPAC Name:
4-(4-hydroxy-3-octylphenyl)sulfanyl-2-octylphenol
InChI:
InChI=1S/C28H42O2S/c1-3-5-7-9-11-13-15-23-21-25(17-19-27(23)29)31-26-18-20-28(30)24(22-26)16-14-12-10-8-6-4-2/h17-22,29-30H,3-16H2,1-2H3
InChI Key:
IYUQRERFZPAPMB-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1cc(ccc1O)Sc1ccc(c(c1)CCCCCCCC)O
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.291g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
442.702g/mol
Monoisotopic Mass:
442.291g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.4
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