Benzothiazolium, 3-ethyl-2-[2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-, 4-methylbenzenesulfonate (1:1)
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![Benzothiazolium, 3-ethyl-2-[2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-, 4-methylbenzenesulfonate (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220805/3768e861a98c4f41b3357b0d40492155.png "Benzothiazolium, 3-ethyl-2-[2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-, 4-methylbenzenesulfonate (1:1)")
Benzothiazolium, 3-ethyl-2-[2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-, 4-methylbenzenesulfonate (1:1)
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CAS No:
77737-19-0
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Formula:
C23H25N2S2.C7H7O3S
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Chemical Name:
Benzothiazolium, 3-ethyl-2-[2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-, 4-methylbenzenesulfonate (1:1)
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Synonyms:
Benzothiazolium,3-ethyl-2-[2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-,4-methylbenzenesulfonate (1:1);Benzothiazolium,3-ethyl-2-[2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-,salt with 4-methylbenzenesulfonic acid (1:1)
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CAS No:
Benzothiazolium, 3-ethyl-2-[2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-, 4-methylbenzenesulfonate (1:1) Basic Attributes
564.78168
564.157506 g/mol
278-756-8
Computed Properties
Molecular Weight:564.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:564.15750641
Monoisotopic Mass:564.15750641
Topological Polar Surface Area:126
Heavy Atom Count:38
Complexity:719
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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