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88264-15-7 | Thiazole, 4,5-bis(4-methoxyphenyl)-2-(2-thienylthio)-
CAS No: 88264-15-7 Catalog No: AG0049ZC MDL No:
Product Description
Catalog Number:
AG0049ZC
Chemical Name:
Thiazole, 4,5-bis(4-methoxyphenyl)-2-(2-thienylthio)-
CAS Number:
88264-15-7
Molecular Formula:
C21H17NO2S3
Molecular Weight:
411.5602
IUPAC Name:
4,5-bis(4-methoxyphenyl)-2-thiophen-2-ylsulfanyl-1,3-thiazole
InChI:
InChI=1S/C21H17NO2S3/c1-23-16-9-5-14(6-10-16)19-20(15-7-11-17(24-2)12-8-15)27-21(22-19)26-18-4-3-13-25-18/h3-13H,1-2H3
InChI Key:
BEGVWUYNCRZVJP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1sc(nc1c1ccc(cc1)OC)Sc1cccs1
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.042g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.552g/mol
Monoisotopic Mass:
411.042g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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