2-[2-[2-Chloro-3-[2-(3-methyl-3H-benzthiazol-2-ylidene)-ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-methyl-benzthiazolium
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![2-[2-[2-Chloro-3-[2-(3-methyl-3H-benzthiazol-2-ylidene)-ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-methyl-benzthiazolium structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7502ce30e35f4ebd98b66924ea50d8e4.png "2-[2-[2-Chloro-3-[2-(3-methyl-3H-benzthiazol-2-ylidene)-ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-methyl-benzthiazolium")
2-[2-[2-Chloro-3-[2-(3-methyl-3H-benzthiazol-2-ylidene)-ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-methyl-benzthiazolium
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CAS No:
193687-61-5
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Formula:
C25H22ClN2S2+
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Chemical Name:
2-[2-[2-Chloro-3-[2-(3-methyl-3H-benzthiazol-2-ylidene)-ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-methyl-benzthiazolium
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Synonyms:
2-[2-[2-Chloro-3-[2-(3-methyl-3H-benzthiazol-2-ylidene)-ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-methyl-benzthiazolium;CTK0H1494;DTXSID40694760;2-(2-{2-Chloro-3-[2-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]cyclopent-1-en-1-yl}ethenyl)-3-methyl-1,3-benzothiazol-3-ium
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CAS No:
2-[2-[2-Chloro-3-[2-(3-methyl-3H-benzthiazol-2-ylidene)-ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-methyl-benzthiazolium Basic Attributes
450.03858
640.25300
DTXSID40694760
Computed Properties
Molecular Weight:470.1
XLogP3:6.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:469.2410518
Monoisotopic Mass:469.2410518
Topological Polar Surface Area:6.2
Heavy Atom Count:34
Formal Charge:1
Complexity:915
Defined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
2-[2-[2-Chloro-3-[2-(3-methyl-3H-benzthiazol-2-ylidene)-ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-methyl-benzthiazolium
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