Benzothiazolium, 2-[2-methyl-3-[3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-3-(4-sulfobutyl)-, inner salt
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Benzothiazolium, 2-[2-methyl-3-[3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-3-(4-sulfobutyl)-, inner salt
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CAS No:
25985-63-1
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Formula:
C26H30N2O6S4
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Chemical Name:
Benzothiazolium, 2-[2-methyl-3-[3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-3-(4-sulfobutyl)-, inner salt
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Synonyms:
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-benzothiazolinylidene]propenyl]-3-(4-sulfobutyl)-,hydroxide,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;3,3′-Bis(4-sulfobutyl)-9-methylthiacarbocyanine
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CAS No:
Benzothiazolium, 2-[2-methyl-3-[3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-3-(4-sulfobutyl)-, inner salt Basic Attributes
594.8 g/mol
594.09867138 g/mol
247-392-1
DTXSID6067171
Benzothiazolium, 2-[2-methyl-3-[3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-3-(4-sulfobutyl)-, inner salt Use and Manufacturing
Benzothiazolium, 2-[2-methyl-3-[3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-3-(4-sulfobutyl)-, inner salt: ACTIVE
Computed Properties
Molecular Weight:594.8
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:11
Exact Mass:594.09867138
Monoisotopic Mass:594.09867138
Topological Polar Surface Area:189
Heavy Atom Count:38
Complexity:1050
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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