RefChem:118682

(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-[methyl-(4-nitrophenyl)hydrazinylidene]azanium;methyl sulfate

Also Known As: Benzothiazolium, 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazen-1-yl]-, methyl sulfate (1:1)|6-Methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)triaz-1-en-1-yl]-1,3-benzothiazol-3-ium methyl sulfate|Benzothiazolium, 6-methoxy-3-methyl-2-(3-methyl-3-(4-nitrophenyl)-1-triazen-1-yl)-, methyl sulfate (1:1)|Benzothiazolium, 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-, methyl sulfate|N-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-methyl-4-nitroaniline;methyl sulfate

Molecular Formula	C17H19N5O7S2
Molecular Weight	469.0726 g/mol
LogP	1.8621
Topological Polar Surface Area	175.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	10
Rotatable Bonds	3
Exact Mass	469.0726
Monoisotopic Mass	469.0726
Heavy Atoms	31
Complexity	645.0

Chemical Identifiers

CAS Number	89923-57-9
SMILES	CN1C2=C(C=C(C=C2)OC)SC1=[N+]=NN(C)C3=CC=C(C=C3)[N+](=O)[O-].COS(=O)(=O)[O-]
InChIKey	MXKBRGRWDGSFHA-UHFFFAOYSA-M