RefChem:118660

4-methylbenzenesulfonate;3-methyl-2-(2-piperidin-1-ylethenyl)-1,3-benzothiazol-3-ium

Also Known As: Benzothiazolium, 3-methyl-2-[2-(1-piperidinyl)ethenyl]-, salt with 4-methylbenzenesulfonic acid (1:1)|Benzothiazolium, 3-methyl-2-(2-(1-piperidinyl)ethenyl)-, 4-methylbenzenesulfonate (1:1)|Benzothiazolium, 3-methyl-2-(2-(1-piperidinyl)ethenyl)-, salt with 4-methylbenzenesulfonic acid (1:1)|Benzothiazolium, 3-methyl-2-[2-(1-piperidinyl)ethenyl]-, 4-methylbenzenesulfonate (1:1)|3-Methyl-2-[2-(piperidin-1-yl)ethen-1-yl]-1,3-benzothiazol-3-ium 4-methylbenzene-1-sulfonate

Molecular Formula	C22H26N2O3S2
Molecular Weight	430.1385 g/mol
LogP	4.08
Topological Polar Surface Area	64.32 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	430.1385
Heavy Atoms	29
Complexity	1080.9

Chemical Identifiers

CAS Number	63149-29-1
SMILES	CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(SC2=CC=CC=C21)C=CN3CCCCC3