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1258-75-9 | Phenol, 2,2'-thiobis[4-nonyl-
CAS No: 1258-75-9 Catalog No: AG000ORZ MDL No:
Product Description
Catalog Number:
AG000ORZ
Chemical Name:
Phenol, 2,2'-thiobis[4-nonyl-
CAS Number:
1258-75-9
Molecular Formula:
C30H46O2S
Molecular Weight:
470.7500
IUPAC Name:
2-(2-hydroxy-5-nonylphenyl)sulfanyl-4-nonylphenol
InChI:
InChI=1S/C30H46O2S/c1-3-5-7-9-11-13-15-17-25-19-21-27(31)29(23-25)33-30-24-26(20-22-28(30)32)18-16-14-12-10-8-6-4-2/h19-24,31-32H,3-18H2,1-2H3
InChI Key:
SGZMYCSMZPSIKX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1ccc(c(c1)Sc1cc(CCCCCCCCC)ccc1O)O
EC Number:
215-020-7
Properties
Complexity:
417
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:
18
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.5
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