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6451-11-2 | 2,2'-(1,4-Phenylene)bis(anthra[2,1-d]thiazole-6,11-dione)
CAS No: 6451-11-2 Catalog No: AG00F3WE MDL No:
Product Description
Catalog Number:
AG00F3WE
Chemical Name:
2,2'-(1,4-Phenylene)bis(anthra[2,1-d]thiazole-6,11-dione)
CAS Number:
6451-11-2
IUPAC Name:
2-[4-(6,11-dioxonaphtho[2,3-g][1,3]benzothiazol-2-yl)phenyl]naphtho[2,3-g][1,3]benzothiazole-6,11-dione
InChI:
InChI=1S/C36H16N2O4S2/c39-29-19-5-1-3-7-21(19)31(41)27-23(29)13-15-25-33(27)43-35(37-25)17-9-11-18(12-10-17)36-38-26-16-14-24-28(34(26)44-36)32(42)22-8-4-2-6-20(22)30(24)40/h1-16H
InChI Key:
WWLFWRZFIJROMH-UHFFFAOYSA-N
EC Number:
613-616-5
Properties
Complexity:
1130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
604.055g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
604.654g/mol
Monoisotopic Mass:
604.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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