RefChem:164736

4-[2-[4-(N-acetylanilino)buta-1,3-dienyl]benzo[f][1,3]benzothiazol-3-ium-3-yl]butane-2-sulfonate

Also Known As: EINECS 263-936-0|2-[4-1,3-butadienyl]-3- naphtho[2,3-d]thiazolium|Naphtho[2,3-d]thiazolium, 2-[4-(acetylphenylamino)-1,3-butadienyl]-3-(3-sulfobutyl)-, inner salt|2-[4-(acetylanilino)-1,3-butadienyl]-3-(3-sulphonatobutyl)naphtho[2,3-d]thiazolium|Naphtho(2,3-d)thiazolium, 2-(4-(acetylphenylamino)-1,3-butadien-1-yl)-3-(3-sulfobutyl)-, inner salt|Naphtho(2,3-d)thiazolium, 2-(4-(acetylphenylamino)-1,3-butadienyl)-3-(3-sulfobutyl)-, inner salt|Naphtho[2,3-d]thiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-(3-sulfobutyl)-, inner salt|2-[4-(Acetylanilino)-1,3-butadienyl]-3-(3-sulfonatobutyl)naphtho[2,3-d]thiazolium|4-(2-{4-[Acetyl(phenyl)amino]buta-1,3-dien-1-yl}naphtho[2,3-d][1,3]thiazol-3-ium-3-yl)butane-2-sulfonate|4-[2-[(3E)-4-(N-acetylanilino)buta-1,3-dienyl]benzo[f][1,3]benzothiazol-3-ium-3-yl]butane-2-sulfonate|Naphtho[2,3-d]thiazolium, 2-[4-(acetylphenylamino)-1,3-butadienyl]-3-(3-sulfobutyl)-, hydroxide, inner salt

Molecular Formula	C27H26N2O4S2
Molecular Weight	506.1334 g/mol
LogP	5.25
Topological Polar Surface Area	81.39 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	506.1334
Heavy Atoms	35
Complexity	1523.1

Chemical Identifiers

CAS Number	63148-84-5
SMILES	CC(CC[N+]1=C(SC2=CC3=CC=CC=C3C=C21)C=CC=CN(C4=CC=CC=C4)C(=O)C)S(=O)(=O)[O-]