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1262-31-3 | Phenol, 2,2'-thiobis[4-dodecyl-
CAS No: 1262-31-3 Catalog No: AG000SCH MDL No:
Product Description
Catalog Number:
AG000SCH
Chemical Name:
Phenol, 2,2'-thiobis[4-dodecyl-
CAS Number:
1262-31-3
Molecular Formula:
C36H58O2S
Molecular Weight:
554.9095
IUPAC Name:
4-dodecyl-2-(5-dodecyl-2-hydroxyphenyl)sulfanylphenol
InChI:
InChI=1S/C36H58O2S/c1-3-5-7-9-11-13-15-17-19-21-23-31-25-27-33(37)35(29-31)39-36-30-32(26-28-34(36)38)24-22-20-18-16-14-12-10-8-6-4-2/h25-30,37-38H,3-24H2,1-2H3
InChI Key:
QDRFHDDAGLWIAJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccc(c(c1)Sc1cc(CCCCCCCCCCCC)ccc1O)O
EC Number:
215-027-5
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.416g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
554.918g/mol
Monoisotopic Mass:
554.416g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.7
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