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139674-66-1 | Thiazole, 5-(4-decylphenyl)-2-(4-octylphenyl)-
CAS No: 139674-66-1 Catalog No: AG001BI0 MDL No:
Product Description
Catalog Number:
AG001BI0
Chemical Name:
Thiazole, 5-(4-decylphenyl)-2-(4-octylphenyl)-
CAS Number:
139674-66-1
Molecular Formula:
C33H47NS
Molecular Weight:
489.7980
IUPAC Name:
5-(4-decylphenyl)-2-(4-octylphenyl)-1,3-thiazole
InChI:
InChI=1S/C33H47NS/c1-3-5-7-9-11-12-14-16-17-28-19-23-30(24-20-28)32-27-34-33(35-32)31-25-21-29(22-26-31)18-15-13-10-8-6-4-2/h19-27H,3-18H2,1-2H3
InChI Key:
PEIYFKKTRWADHZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1ccc(cc1)c1cnc(s1)c1ccc(cc1)CCCCCCCC
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
489.343g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
489.806g/mol
Monoisotopic Mass:
489.343g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.5
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