Naphtho(2,1-d)thiazolium, 3-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1)

3-ethyl-2-methylbenzo[g][1,3]benzothiazol-3-ium;4-methylbenzenesulfonate

Also Known As: Naphtho[2,1-d]thiazolium, 3-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)|3-ethyl-2-methylnaphtho[2,1-d]thiazolium toluene-p-sulphonate|3-ethyl-2-methylbenzo[g][1,3]benzothiazol-3-ium;4-methylbenzenesulfonate|3-Ethyl-2-methylnaphtho(2,1-d)thiazolium toluene-p-sulphonate|Naphtho(2,1-d)thiazolium, 3-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1)|Naphtho(2,1-d)thiazolium, 3-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)|3-ethyl-2-methyl-naphtho[2,1-d]thiazolium,toluene-4-sulfonate|3-ethyl-2-methylbenzo[g][1,3]benzothiazol-3-ium,4-methylbenzenesulfonate|3-ethyl-2-methylbenzo[g][1,3]benzothiazol-3-ium; 4-methylbenzenesulfonate|3-ethyl-2-methylnaphtho[2,1-d]thiazol-3-ium 4-methylbenzenesulfonate|3-ETHYL-2-METHYLNAPHTHO[2,1-D][1,3]THIAZOL-3-IUM 4-METHYLBENZENE-1-SULFONATE|Naphtho[2,1-d]thiazolium, 3-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1)

Molecular Formula	C21H21NO3S2
Molecular Weight	399.09628 g/mol
LogP	4.56944
Topological Polar Surface Area	97.7 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	399.09628
Monoisotopic Mass	399.09628
Heavy Atoms	27
Complexity	448.0

Chemical Identifiers

CAS Number	53019-76-4
SMILES	CC[N+]1=C(SC2=C1C=CC3=CC=CC=C32)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]
InChIKey	ZHJSCTBAIQQVLN-UHFFFAOYSA-M