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88264-22-6 | Thiazole, 4,5-bis(4-methoxyphenyl)-2-(phenylsulfonyl)-
CAS No: 88264-22-6 Catalog No: AG008AV8 MDL No:
Product Description
Catalog Number:
AG008AV8
Chemical Name:
Thiazole, 4,5-bis(4-methoxyphenyl)-2-(phenylsulfonyl)-
CAS Number:
88264-22-6
Molecular Formula:
C23H19NO4S2
Molecular Weight:
437.5313
IUPAC Name:
2-(benzenesulfonyl)-4,5-bis(4-methoxyphenyl)-1,3-thiazole
InChI:
InChI=1S/C23H19NO4S2/c1-27-18-12-8-16(9-13-18)21-22(17-10-14-19(28-2)15-11-17)29-23(24-21)30(25,26)20-6-4-3-5-7-20/h3-15H,1-2H3
InChI Key:
CMHJXRFCZZNJSB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1sc(nc1c1ccc(cc1)OC)S(=O)(=O)c1ccccc1
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.076g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
437.528g/mol
Monoisotopic Mass:
437.076g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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