Benzothiazolium, 3-methyl-2-[2-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-, bromide, hydrate (1:1:2)
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![Benzothiazolium, 3-methyl-2-[2-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-, bromide, hydrate (1:1:2) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1b6bf00f2657462ea68051d4e6d63d9d.png "Benzothiazolium, 3-methyl-2-[2-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-, bromide, hydrate (1:1:2)")
Benzothiazolium, 3-methyl-2-[2-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-, bromide, hydrate (1:1:2)
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CAS No:
19003-87-3
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Formula:
C21H21N2S2.Br.2H2O
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Chemical Name:
Benzothiazolium, 3-methyl-2-[2-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-, bromide, hydrate (1:1:2)
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Synonyms:
Benzothiazolium,3-methyl-2-[2-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-,bromide,hydrate (1:1:2);Benzothiazolium,3-methyl-2-[2-[(3-methyl-2-benzothiazolinylidene)methyl]-1-butenyl]-,bromide,dihydrate;Benzothiazolium,3-methyl-2-[2-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-,bromide,dihydrate;3,3′-Dimethyl-9-ethylthiacarbocyanine bromide dihydrate
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CAS No:
Benzothiazolium, 3-methyl-2-[2-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-, bromide, hydrate (1:1:2) Basic Attributes
477.5 g/mol
476.09555 g/mol
Computed Properties
Molecular Weight:477.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:476.09555
Monoisotopic Mass:476.09555
Topological Polar Surface Area:60.7
Heavy Atom Count:28
Complexity:499
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:4
Compound Is Canonicalized:Yes
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