[1-[2,3-dihydroxy-4-[4-(oxoazaniumylmethylidene)pyridin-1-yl]butyl]pyridin-4-ylidene]methyl-oxoazanium,dithiocyanate
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![[1-[2,3-dihydroxy-4-[4-(oxoazaniumylmethylidene)pyridin-1-yl]butyl]pyridin-4-ylidene]methyl-oxoazanium,dithiocyanate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/42dc881adddc4768b908da091b54fead.png "[1-[2,3-dihydroxy-4-[4-(oxoazaniumylmethylidene)pyridin-1-yl]butyl]pyridin-4-ylidene]methyl-oxoazanium,dithiocyanate")
[1-[2,3-dihydroxy-4-[4-(oxoazaniumylmethylidene)pyridin-1-yl]butyl]pyridin-4-ylidene]methyl-oxoazanium,dithiocyanate
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CAS No:
3852-76-4
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Formula:
C18H20N6O4S2
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Chemical Name:
[1-[2,3-dihydroxy-4-[4-(oxoazaniumylmethylidene)pyridin-1-yl]butyl]pyridin-4-ylidene]methyl-oxoazanium,dithiocyanate
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Synonyms:
1,4-Bis(4-hydroxyiminomethyl-pyridinium-(1))butanediol(2,3)-dirhodanid; 1,4-Bis(4-hydroxyiminomethyl-pyridinium-(1))butanediol(2,3)-dirhodanid [German]; Pyridinium,1,1'-(2,3-dihydroxytetramethylene)bis(4-formyl-,dithiocyanate,dioxime; R 46; [1-[2,3-dihydroxy-4-[4-(oxoazaniumylmethylidene)pyridin-1-yl]butyl]pyridin-4-ylidene]methyl-oxoazanium dithiocyanate;
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CAS No:
[1-[2,3-dihydroxy-4-[4-(oxoazaniumylmethylidene)pyridin-1-yl]butyl]pyridin-4-ylidene]methyl-oxoazanium,dithiocyanate Basic Attributes
448.51900
448.09874549
Computed Properties
Molecular Weight:448.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:448.09874549
Monoisotopic Mass:448.09874549
Topological Polar Surface Area:180
Heavy Atom Count:30
Complexity:395
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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