RefChem:164679

1-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]benzo[e][1,3]benzothiazole;4-methylbenzenesulfonate

Also Known As: Naphtho(1,2-d)thiazolium, 1-ethyl-2-((1-ethyl-6-methyl-2(1H)-quinolinylidene)methyl)-, 4-methylbenzenesulfonate (1:1)|Naphtho(1,2-d)thiazolium, 1-ethyl-2-((1-ethyl-6-methyl-2(1H)-quinolinylidene)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)|Naphtho[1,2-d]thiazolium, 1-ethyl-2-[(1-ethyl-6-methyl-2(1H)-quinolinylidene)methyl]-, salt with 4-methylbenzenesulfonic acid (1:1)|1-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]benzo[e][1,3]benzothiazole; 4-methylbenzenesulfonate|1-ethyl-2-[(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1h)-ylidene)methyl]-6-methylquinolinium 4-methylbenzenesulfonate|Naphtho[1,2-d]thiazolium, 1-ethyl-2-[(1-ethyl-6-methyl-2(1H)-quinolinylidene)methyl]-, 4-methylbenzenesulfonate (1:1)

Molecular Formula	C33H32N2O3S2
Molecular Weight	568.1854 g/mol
LogP	7.44
Topological Polar Surface Area	64.32 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	568.1854
Heavy Atoms	40
Complexity	1846.3

Chemical Identifiers

CAS Number	63665-72-5
SMILES	CCN1C(=CC2=[N+](C3=C(C=C2)C=C(C=C3)C)CC)SC4=C1C5=CC=CC=C5C=C4.CC1=CC=C(C=C1)S(=O)(=O)[O-]