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209908-49-6 | Naphtho[2,3-d]thiazole-4,9-dione, 2,2'-(1,4-phenylene)bis-
CAS No: 209908-49-6 Catalog No: AG002KGY MDL No:
Product Description
Catalog Number:
AG002KGY
Chemical Name:
Naphtho[2,3-d]thiazole-4,9-dione, 2,2'-(1,4-phenylene)bis-
CAS Number:
209908-49-6
Molecular Formula:
C28H12N2O4S2
Molecular Weight:
504.5359
IUPAC Name:
2-[4-(4,9-dioxobenzo[f][1,3]benzothiazol-2-yl)phenyl]benzo[f][1,3]benzothiazole-4,9-dione
InChI:
InChI=1S/C28H12N2O4S2/c31-21-15-5-1-3-7-17(15)23(33)25-19(21)29-27(35-25)13-9-11-14(12-10-13)28-30-20-22(32)16-6-2-4-8-18(16)24(34)26(20)36-28/h1-12H
InChI Key:
SVCQGBUIPVBTRV-UHFFFAOYSA-N
SMILES:
O=C1c2sc(nc2C(=O)c2c1cccc2)c1ccc(cc1)c1nc2c(s1)C(=O)c1c(C2=O)cccc1
Properties
Complexity:
889
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
504.024g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
504.534g/mol
Monoisotopic Mass:
504.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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