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147316-89-0 | Benzothiazole, 2,2'-[2-(2,6-dimethylphenoxy)-1,4-phenylene]bis- (9CI)
CAS No: 147316-89-0 Catalog No: AG001ESZ MDL No:
Product Description
Catalog Number:
AG001ESZ
Chemical Name:
Benzothiazole, 2,2'-[2-(2,6-dimethylphenoxy)-1,4-phenylene]bis- (9CI)
CAS Number:
147316-89-0
Molecular Formula:
C28H20N2OS2
Molecular Weight:
464.6012
IUPAC Name:
2-[4-(1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)phenyl]-1,3-benzothiazole
InChI:
InChI=1S/C28H20N2OS2/c1-17-8-7-9-18(2)26(17)31-23-16-19(27-29-21-10-3-5-12-24(21)32-27)14-15-20(23)28-30-22-11-4-6-13-25(22)33-28/h3-16H,1-2H3
InChI Key:
KSIPLQPIJLJSAZ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1Oc1cc(ccc1c1sc2c(n1)cccc2)c1sc2c(n1)cccc2)C
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.102g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
464.601g/mol
Monoisotopic Mass:
464.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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