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666825-28-1 | Thiazole, 2,2',2'',2''',2'''',2'''''-(1,2,3,4,5,6-benzenehexayl)hexakis-
CAS No: 666825-28-1 Catalog No: AG00H746 MDL No:
Product Description
Catalog Number:
AG00H746
Chemical Name:
Thiazole, 2,2',2'',2''',2'''',2'''''-(1,2,3,4,5,6-benzenehexayl)hexakis-
CAS Number:
666825-28-1
Molecular Formula:
C24H12N6S6
Molecular Weight:
576.7823
IUPAC Name:
2-[2,3,4,5,6-pentakis(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
InChI:
InChI=1S/C24H12N6S6/c1-7-31-19(25-1)13-14(20-26-2-8-32-20)16(22-28-4-10-34-22)18(24-30-6-12-36-24)17(23-29-5-11-35-23)15(13)21-27-3-9-33-21/h1-12H
InChI Key:
ADCJNRCFVHCAMX-UHFFFAOYSA-N
SMILES:
c1csc(n1)c1c(c2nccs2)c(c2nccs2)c(c(c1c1nccs1)c1nccs1)c1nccs1
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
575.945g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
576.762g/mol
Monoisotopic Mass:
575.945g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
247A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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