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53336-12-2

53336-12-2 | 3-Propyl-2-(3-(3-propylbenzo[d]thiazol-2(3H);-ylidene);prop-1-en-1-yl);benzo[d]thiazol-3-ium iodide

CAS No: 53336-12-2 Catalog No: AG003ICD MDL No:

Product Description

Catalog Number:
AG003ICD
Chemical Name:
3-Propyl-2-(3-(3-propylbenzo[d]thiazol-2(3H);-ylidene);prop-1-en-1-yl);benzo[d]thiazol-3-ium iodide
CAS Number:
53336-12-2
Molecular Formula:
C23H25IN2S2
Molecular Weight:
520.4925
IUPAC Name:
(2E)-3-propyl-2-[(E)-3-(3-propyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;iodide
InChI:
InChI=1S/C23H25N2S2.HI/c1-3-16-24-18-10-5-7-12-20(18)26-22(24)14-9-15-23-25(17-4-2)19-11-6-8-13-21(19)27-23;/h5-15H,3-4,16-17H2,1-2H3;1H/q+1;/p-1
InChI Key:
JGTCEHAVVINOPG-UHFFFAOYSA-M
SMILES:
CCCn1/c(=C\C=C\c2sc3c([n+]2CCC)cccc3)/sc2c1cccc2.[I-]

Properties

Complexity:
500  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
520.05g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
520.491g/mol
Monoisotopic Mass:
520.05g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

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Influence of cholesterol on the biophysical properties of the sphingomyelin/DOPC binary system. The Journal of membrane biology 20010915
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The ascorbate-driven reduction of extracellular ascorbate free radical by the erythrocyte is an electrogenic process. FEBS letters 20010223
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