Thioflavin T benzoate

4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline benzoate

Also Known As: Thioflavin T benzoate|BASIC YELLOW 1 BENZOATE|EINECS 269-743-8|PIGMENT YELLOW 18 BENZOATE|C.I. Pigment Yellow 18 (fugitive), benzoic acid salt|Benzothiazolium, 2-(4-(dimethylamino)phenyl)-3,6-dimethyl-, benzoate|2-[4-(Dimethylamino)phenyl]-3,6-dimethylbenzothiazolium benzoate|Benzothiazolium, 2-(4-(dimethylamino)phenyl)-3,6-dimethyl-, benzoate (1:1)|2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium benzoate|2-(4-(Dimethylamino)phenyl)-3,6-dimethylbenzothiazolium benzoate|4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline benzoate|Benzothiazolium, 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-, benzoate|Benzothiazolium, 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-, benzoate (1:1)

Molecular Formula	C24H24N2O2S
Molecular Weight	404.15585 g/mol
LogP	3.82
Topological Polar Surface Area	47.25 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	404.15585
Heavy Atoms	29
Complexity	1117.1

Chemical Identifiers

CAS Number	68310-89-4
SMILES	CC1=CC2=C(C=C1)[N+](=C(S2)C3=CC=C(C=C3)N(C)C)C.C1=CC=C(C=C1)C(=O)[O-]