Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-, 4-methylbenzenesulfonate (1:1)
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![Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-, 4-methylbenzenesulfonate (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/807f8d40064446ee97cedec0e6007817.png "Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-, 4-methylbenzenesulfonate (1:1)")
Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-, 4-methylbenzenesulfonate (1:1)
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CAS No:
15086-20-1
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Formula:
C22H23N2S2.C7H7O3S
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Chemical Name:
Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-, 4-methylbenzenesulfonate (1:1)
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Synonyms:
Benzothiazolium,3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-,4-methylbenzenesulfonate (1:1);Benzothiazolium,3-ethyl-2-[3-(3-ethyl-2-benzothiazolinylidene)-2-methylpropenyl]-,p-toluenesulfonate;Benzothiazolium,3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl]-,salt with 4-methylbenzenesulfonic acid (1:1);3-Ethyl-2-[3-(3-ethyl-2-benzothiazolinylidene)-2-methylpropenyl]benzothiazolium p-toluenesulfonate;3,3′-Diethyl-9-methylthiacarbocyanine p-toluenesulfonate
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CAS No:
Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-, 4-methylbenzenesulfonate (1:1) Basic Attributes
550.7551
550.14185634 g/mol
239-136-2
Computed Properties
Molecular Weight:550.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:550.14185634
Monoisotopic Mass:550.14185634
Topological Polar Surface Area:126
Heavy Atom Count:37
Complexity:704
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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