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82588-43-0 | 6-Biphenyl-4-yl-imidazo[2,1-b]thiazole-5-carbaldehyde
CAS No: 82588-43-0 Catalog No: AG01EXKB MDL No:
Product Description
Catalog Number:
AG01EXKB
Chemical Name:
6-Biphenyl-4-yl-imidazo[2,1-b]thiazole-5-carbaldehyde
CAS Number:
82588-43-0
Molecular Formula:
C18H12N2OS
Molecular Weight:
304.3657
IUPAC Name:
6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
InChI:
InChI=1S/C18H12N2OS/c21-12-16-17(19-18-20(16)10-11-22-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H
InChI Key:
FJLRPDKLIBVBFD-UHFFFAOYSA-N
SMILES:
O=Cc1c(nc2n1ccs2)c1ccc(cc1)c1ccccc1
NSC Number:
332729
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.367g/mol
Monoisotopic Mass:
304.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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