Benzothiazolium, 2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt
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![Benzothiazolium, 2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a0fe57d479c9461198bd88c4973474ef.png "Benzothiazolium, 2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt")
Benzothiazolium, 2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt
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CAS No:
7691-71-6
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Formula:
C25H28N2O3S3
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Chemical Name:
Benzothiazolium, 2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt
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Synonyms:
Benzothiazolium,2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-5,6-dimethyl-3-(3-sulfopropyl)-,inner salt;Benzothiazolium,2-[3-(3-ethyl-2-benzothiazolinylidene)-2-methylpropenyl]-5,6-dimethyl-3-(3-sulfopropyl)-,hydroxide,inner salt;Benzothiazolium,2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl]-5,6-dimethyl-3-(3-sulfopropyl)-,hydroxide,inner salt;2-[3-(3-Ethyl-2-benzothiazolinylidene)-2-methylpropenyl]-5,6-dimethyl-3-(3-sulfopropyl)benzothiazolium hydroxide,inner salt;Benzothiazolium,2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl]-5,6-dimethyl-3-(3-sulfopropyl)-,inner salt
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CAS No:
Benzothiazolium, 2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt Basic Attributes
500.69642
500.126206
231-702-7
Computed Properties
Molecular Weight:500.7
XLogP3:6.5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:500.12620628
Monoisotopic Mass:500.12620628
Topological Polar Surface Area:126
Heavy Atom Count:33
Complexity:840
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Benzothiazolium, 2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt
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