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2-(1,3-benzothiazol-2-yl)-3-hydroxy-4-(1-oxidopyridin-1-ium-2-yl)sulfanylbut-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-hydroxy-4-(1-oxidopyridin-1-ium-2-yl)sulfanylbut-2-enenitrile
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2-(1,3-benzothiazol-2-yl)-3-hydroxy-4-(1-oxidopyridin-1-ium-2-yl)sulfanylbut-2-enenitrile
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CAS No:
721417-67-0
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Formula:
C16H11N3O2S2
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Chemical Name:
2-(1,3-benzothiazol-2-yl)-3-hydroxy-4-(1-oxidopyridin-1-ium-2-yl)sulfanylbut-2-enenitrile
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Synonyms:
Z18546843;2-{[3-cyano-3-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-2-oxopropyl]sulfanyl}pyridin-1-ium-1-olate;721417-67-0
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CAS No:
2-(1,3-benzothiazol-2-yl)-3-hydroxy-4-(1-oxidopyridin-1-ium-2-yl)sulfanylbut-2-enenitrile Basic Attributes
341.4 g/mol
341.02926895 g/mol
Computed Properties
Molecular Weight:341.4
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:341.02926895
Monoisotopic Mass:341.02926895
Topological Polar Surface Area:136
Heavy Atom Count:23
Complexity:505
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 2-(1,3-benzothiazol-2-yl)-3-hydroxy-4-(1-oxidopyridin-1-ium-2-yl)sulfanylbut-2-enenitrile
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