AC1L4PKC

3-[N-butyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]propanenitrile;methyl sulfate

Also Known As: 2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate|2-((4-(N-Butyl-(2-cyanoethyl)amino)phenyl)azo)-6-mehtoxy-3-methylbenzothiazolium, methyl sulfate|Benzothiazolium, 2-((4-(butyl(2-cyanoethyl)amino)phenyl)azo)-6-methoxy-3-methyl-, methyl sulfate|Benzothiazolium, 2-(2-(4-(butyl(2-cyanoethyl)amino)phenyl)diazenyl)-6-methoxy-3-methyl-, methyl sulfate (1:1)|Benzothiazolium, 2-[[4-[butyl(2-cyanoethyl)amino]phenyl]azo]-6-methoxy-3-methyl-, methyl sulfate|Benzothiazolium, 2-[2-[4-[butyl(2-cyanoethyl)amino]phenyl]diazenyl]-6-methoxy-3-methyl-, methyl sulfate (1:1)|2-[[4-[butyl amino]phenyl]azo]-6-methoxy-3-methylbenzothiazoliummethylsulphate|2-((4-(Butyl(2-cyanoethyl)amino)phenyl)azo)-6-methoxy-3-methylbenzothiazolium methyl sulphate|2-[[4-[BUTYL(2-CYANOETHYL)AMINO]PHENYL]AZO]-6-METHOXY-3-METHYLBENZOTHIAZOLIUM METHYL SULPHATE|3-[N-butyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]propanenitrile; methyl sulfate|Benzothiazolium, 2-[[4-[butyl(2-cyanoethyl) amino]phenyl]azo]-6-methoxy-3-methyl-, methyl sulfate|Benzothiazolium, 2-[[p-[butyl(2-cyanoethyl)amino]phenyl]azo]-6-methoxy-3-methyl-, methyl sulfate

Molecular Formula	C23H29N5O5S2
Molecular Weight	519.161 g/mol
LogP	4.76298
Topological Polar Surface Area	168.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	10
Rotatable Bonds	9
Exact Mass	519.161
Monoisotopic Mass	519.161
Heavy Atoms	35
Complexity	661.0

Chemical Identifiers

CAS Number	31368-35-1
SMILES	CCCCN(CCC#N)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C.COS(=O)(=O)[O-]
InChIKey	BZNHGBSVURHYCR-UHFFFAOYSA-M