4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;2-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine
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![4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;2-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/24cf7e630e0e45b68b19241a1a073731.png "4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;2-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine")
4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;2-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine
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CAS No:
123508-62-3
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Formula:
C30H32N6O6S2
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Chemical Name:
4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;2-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine
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Synonyms:
123508-62-3;DTXSID90924524;2-(4-(((Aminoiminomethyl)hydrazono)methyl)phenyl)-1-methylimidazo(1,2-A)pyridinium, salt with 4-methylbenzenesulfonic acid (1:1), mono(4-methylbenzenesulfonate);2-{4-[(2-Carbamimidoylhydrazinylidene)methyl]phenyl}-1-methyl-1H-imidazo[1,2-a]pyridin-4-ium 4-methylbenzene-1-sulfonate--4-methylbenzene-1-sulfonic acid (1/1/1)
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CAS No:
4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;2-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine Basic Attributes
636.7 g/mol
636.18247511 g/mol
Computed Properties
Molecular Weight:636.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:636.18247511
Monoisotopic Mass:636.18247511
Topological Polar Surface Area:214
Heavy Atom Count:44
Complexity:822
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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