Benzothiazolium, 2-[2-[[5-bromo-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-ethyl-5,6-dimethyl-, inner salt
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![Benzothiazolium, 2-[2-[[5-bromo-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-ethyl-5,6-dimethyl-, inner salt structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b74263638d7a4964a54d99b127284698.png "Benzothiazolium, 2-[2-[[5-bromo-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-ethyl-5,6-dimethyl-, inner salt")
Benzothiazolium, 2-[2-[[5-bromo-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-ethyl-5,6-dimethyl-, inner salt
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CAS No:
39981-04-9
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Formula:
C26H29BrN2O3S3
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Chemical Name:
Benzothiazolium, 2-[2-[[5-bromo-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-ethyl-5,6-dimethyl-, inner salt
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Synonyms:
Benzothiazolium,2-[2-[[5-bromo-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-ethyl-5,6-dimethyl-,inner salt;Benzothiazolium,2-[2-[[5-bromo-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-butenyl]-3-ethyl-5,6-dimethyl-,hydroxide,inner salt;Benzothiazolium,2-[2-[[5-bromo-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-butenyl]-3-ethyl-5,6-dimethyl-,inner salt;72494-10-1
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CAS No:
Benzothiazolium, 2-[2-[[5-bromo-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-ethyl-5,6-dimethyl-, inner salt Basic Attributes
593.61906
592.05237
254-732-2
DTXSID30193015
Computed Properties
Molecular Weight:593.6
XLogP3:7.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:592.05237
Monoisotopic Mass:592.05237
Topological Polar Surface Area:126
Heavy Atom Count:35
Complexity:893
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Benzothiazolium, 2-[2-[[5-bromo-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-ethyl-5,6-dimethyl-, inner salt
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