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20766-55-6 | Benzothiazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-
CAS No: 20766-55-6 Catalog No: AG002J6E MDL No:
Product Description
Catalog Number:
AG002J6E
Chemical Name:
Benzothiazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-
CAS Number:
20766-55-6
Molecular Formula:
C19H19N2S2+
Molecular Weight:
339.4976
IUPAC Name:
3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole
InChI:
InChI=1S/C19H19N2S2/c1-3-20-14-9-5-7-11-16(14)22-18(20)13-19-21(4-2)15-10-6-8-12-17(15)23-19/h5-13H,3-4H2,1-2H3/q+1
InChI Key:
WCJHMNADZOKGGL-UHFFFAOYSA-N
SMILES:
CC[n+]1c(C=c2sc3c(n2CC)cccc3)sc2c1cccc2
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.099g/mol
Formal Charge:
1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.495g/mol
Monoisotopic Mass:
339.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.7
Literature
| Title | Journal |
|---|---|
| Efficient excitation-energy transfer in ion-based organic nanoparticles with versatile tunability of the fluorescence colours. | Chemphyschem : a European journal of chemical physics and physical chemistry 20120806 |
| Kinetics of bacterial fluorescence staining with 3,3'-diethylthiacyanine. | Langmuir : the ACS journal of surfaces and colloids 20100615 |
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