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17096-15-0 | 1,1'-Thiobis(naphthalen-2-ol)
CAS No: 17096-15-0 Catalog No: AG003D9E MDL No:MFCD00046469
Product Description
Catalog Number:
AG003D9E
Chemical Name:
1,1'-Thiobis(naphthalen-2-ol)
CAS Number:
17096-15-0
Molecular Formula:
C20H14O2S
Molecular Weight:
318.3890
MDL Number:
MFCD00046469
IUPAC Name:
1-(2-hydroxynaphthalen-1-yl)sulfanylnaphthalen-2-ol
InChI:
InChI=1S/C20H14O2S/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H
InChI Key:
HGYMQZVPTMKXGI-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1Sc1c(O)ccc3c1cccc3)cccc2
EC Number:
241-166-6
NSC Number:
11877
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.071g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.39g/mol
Monoisotopic Mass:
318.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
Literature
| Title | Journal |
|---|---|
| Benzimidazole conjugate of 1,1'-thiobis(2-naphthol) as switch-on fluorescence receptor for Ag+ and the complex as secondary recognition ensemble toward Cys, Asp, and Glu in aqueous methanolic solution: synthesis, characterization, ion and amino acid recognition, computational studies, and microscopy features. | The Journal of organic chemistry 20120106 |
| Two crystalline modifications of 1,1'-thiobis(2-naphthol). | Acta crystallographica. Section C, Crystal structure communications 20070801 |
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