Benzothiazolium, 2-[2-[(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt
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![Benzothiazolium, 2-[2-[(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/929766f5ff044614828fe2de800f5de3.png "Benzothiazolium, 2-[2-[(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt")
Benzothiazolium, 2-[2-[(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt
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CAS No:
66096-08-0
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Formula:
C27H32N2O3S3
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Chemical Name:
Benzothiazolium, 2-[2-[(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt
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Synonyms:
Benzothiazolium,2-[2-[(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5,6-dimethyl-3-(3-sulfopropyl)-,inner salt;Benzothiazolium,2-[2-[(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)-,hydroxide,inner salt;Benzothiazolium,2-[2-[(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)-,inner salt
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CAS No:
Benzothiazolium, 2-[2-[(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt Basic Attributes
528.74958
528.157506 g/mol
266-140-1
Computed Properties
Molecular Weight:528.8
XLogP3:7.3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:528.15750641
Monoisotopic Mass:528.15750641
Topological Polar Surface Area:126
Heavy Atom Count:35
Complexity:887
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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