Benzothiazolium, 2-[2-methyl-3-[3-(3-sulfobutyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-3-(3-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
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![Benzothiazolium, 2-[2-methyl-3-[3-(3-sulfobutyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-3-(3-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/05ada173f8374684b1079e1e3398b76a.png "Benzothiazolium, 2-[2-methyl-3-[3-(3-sulfobutyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-3-(3-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)")
Benzothiazolium, 2-[2-methyl-3-[3-(3-sulfobutyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-3-(3-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
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CAS No:
63149-02-0
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Formula:
C26H30N2O6S4.C6H15N
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Chemical Name:
Benzothiazolium, 2-[2-methyl-3-[3-(3-sulfobutyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-3-(3-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
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Synonyms:
Benzothiazolium,2-[2-methyl-3-[3-(3-sulfobutyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-3-(3-sulfobutyl)-,inner salt,compd. with N,N-diethylethanamine (1:1);Benzothiazolium,2-[2-methyl-3-[3-(3-sulfobutyl)-2(3H)-benzothiazolylidene]-1-propenyl]-3-(3-sulfobutyl)-,hydroxide,inner salt,compd. with N,N-diethylethanamine (1:1);Benzothiazolium,2-[2-methyl-3-[3-(3-sulfobutyl)-2(3H)-benzothiazolylidene]-1-propenyl]-3-(3-sulfobutyl)-,inner salt,compd. with N,N-diethylethanamine (1:1);Ethanamine,N,N-diethyl-,compd. with 2-[2-methyl-3-[3-(3-sulfobutyl)-2(3H)-benzothiazolylidene]-1-propenyl]-3-(3-sulfobutyl)benzothiazolium hydroxide inner salt (1:1)
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CAS No:
Benzothiazolium, 2-[2-methyl-3-[3-(3-sulfobutyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-3-(3-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1) Basic Attributes
696.0 g/mol
695.21912086 g/mol
263-950-7
Benzothiazolium, 2-[2-methyl-3-[3-(3-sulfobutyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-3-(3-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1) Use and Manufacturing
Benzothiazolium, 2-[2-methyl-3-[3-(3-sulfobutyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-3-(3-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1): ACTIVE
Computed Properties
Molecular Weight:696.0
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:12
Exact Mass:695.21912086
Monoisotopic Mass:695.21912086
Topological Polar Surface Area:192
Heavy Atom Count:45
Complexity:1110
Undefined Atom Stereocenter Count:2
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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