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88264-13-5 | Thiazole, 4,5-bis(4-methoxyphenyl)-2-(phenylthio)-
CAS No: 88264-13-5 Catalog No: AG0049ZD MDL No:
Product Description
Catalog Number:
AG0049ZD
Chemical Name:
Thiazole, 4,5-bis(4-methoxyphenyl)-2-(phenylthio)-
CAS Number:
88264-13-5
Molecular Formula:
C23H19NO2S2
Molecular Weight:
405.5325
IUPAC Name:
4,5-bis(4-methoxyphenyl)-2-phenylsulfanyl-1,3-thiazole
InChI:
InChI=1S/C23H19NO2S2/c1-25-18-12-8-16(9-13-18)21-22(17-10-14-19(26-2)15-11-17)28-23(24-21)27-20-6-4-3-5-7-20/h3-15H,1-2H3
InChI Key:
OUMYLAAIVDFIIY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1sc(nc1c1ccc(cc1)OC)Sc1ccccc1
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.086g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.53g/mol
Monoisotopic Mass:
405.086g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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