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88264-19-1 | Thiazole, 4,5-bis(4-methoxyphenyl)-2-(phenylsulfinyl)-
CAS No: 88264-19-1 Catalog No: AG004BT0 MDL No:
Product Description
Catalog Number:
AG004BT0
Chemical Name:
Thiazole, 4,5-bis(4-methoxyphenyl)-2-(phenylsulfinyl)-
CAS Number:
88264-19-1
Molecular Formula:
C23H19NO3S2
Molecular Weight:
421.5319
IUPAC Name:
2-(benzenesulfinyl)-4,5-bis(4-methoxyphenyl)-1,3-thiazole
InChI:
InChI=1S/C23H19NO3S2/c1-26-18-12-8-16(9-13-18)21-22(17-10-14-19(27-2)15-11-17)28-23(24-21)29(25)20-6-4-3-5-7-20/h3-15H,1-2H3
InChI Key:
PMOGNLVTVAPHNW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1sc(nc1c1ccc(cc1)OC)S(=O)c1ccccc1
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.081g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
421.529g/mol
Monoisotopic Mass:
421.081g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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