RefChem:118601

4-[2-[2-methyl-3-[3-(4-sulfobutyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate

Also Known As: EINECS 247-392-1|Benzothiazolium, 2-[2-methyl-3-[3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]-1-propenyl]-3-(4-sulfobutyl)-, inner salt|Benzothiazolium, 2-(2-methyl-3-(3-(4-sulfobutyl)-2(3H)-benzothiazolylidene)-1-propen-1-yl)-3-(4-sulfobutyl)-, inner salt|Benzothiazolium, 2-(2-methyl-3-(3-(4-sulfobutyl)-2(3H)-benzothiazolylidene)-1-propenyl)-3-(4-sulfobutyl)-, hydroxide, inner salt|Benzothiazolium, 2-(2-methyl-3-(3-(4-sulfobutyl)-2(3H)-benzothiazolylidene)-1-propenyl)-3-(4-sulfobutyl)-, inner salt|Benzothiazolium, 2-[2-methyl-3-[3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-3-(4-sulfobutyl)-, inner salt

Molecular Formula	C26H30N2O6S4
Molecular Weight	594.0987 g/mol
LogP	5.04
Topological Polar Surface Area	118.69 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	12
Exact Mass	594.0987
Heavy Atoms	38
Complexity	1576.0

Chemical Identifiers

CAS Number	25985-63-1
SMILES	CC(=CC1=[N+](C2=CC=CC=C2S1)CCCCS(=O)(=O)O)C=C3N(C4=CC=CC=C4S3)CCCCS(=O)(=O)[O-]