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88974-97-4 | Benzothiazole, 2-(1,2-diphenylethenyl)-
CAS No: 88974-97-4 Catalog No: AG0045R6 MDL No:
Product Description
Catalog Number:
AG0045R6
Chemical Name:
Benzothiazole, 2-(1,2-diphenylethenyl)-
CAS Number:
88974-97-4
Molecular Formula:
C21H15NS
Molecular Weight:
313.4155
IUPAC Name:
2-(1,2-diphenylethenyl)-1,3-benzothiazole
InChI:
InChI=1S/C21H15NS/c1-3-9-16(10-4-1)15-18(17-11-5-2-6-12-17)21-22-19-13-7-8-14-20(19)23-21/h1-15H
InChI Key:
XKMJBCWDOMPNEG-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C=C(c1nc2c(s1)cccc2)c1ccccc1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.093g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.418g/mol
Monoisotopic Mass:
313.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.6
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of stilbenylbenzoxazole and stilbenylbenzothiazole derivatives for detecting beta-amyloid fibrils. | Bioorganic & medicinal chemistry letters 20080215 |
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