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113090-48-5 | 4,4'-Bis(2-methyl-4-thiazolyl)biphenyl
CAS No: 113090-48-5 Catalog No: AG01FCIU MDL No:MFCD22682944
Product Description
Catalog Number:
AG01FCIU
Chemical Name:
4,4'-Bis(2-methyl-4-thiazolyl)biphenyl
CAS Number:
113090-48-5
Molecular Formula:
C20H16N2S2
Molecular Weight:
348.4844
MDL Number:
MFCD22682944
IUPAC Name:
2-methyl-4-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]-1,3-thiazole
InChI:
InChI=1S/C20H16N2S2/c1-13-21-19(11-23-13)17-7-3-15(4-8-17)16-5-9-18(10-6-16)20-12-24-14(2)22-20/h3-12H,1-2H3
InChI Key:
KDRHDICTKGBJEC-UHFFFAOYSA-N
SMILES:
Cc1scc(n1)c1ccc(cc1)c1ccc(cc1)c1csc(n1)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.075g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.482g/mol
Monoisotopic Mass:
348.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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