4-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]benzonitrile
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![4-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]benzonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5dfe2920015f4c0e975bb14520f8c78a.png "4-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]benzonitrile")
4-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]benzonitrile
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CAS No:
522625-98-5
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Formula:
C12H8N4O3S
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Chemical Name:
4-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]benzonitrile
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Synonyms:
ZINC3247501;AKOS034460635;MCULE-5187657940;Z56845713;4-{2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetyl}benzonitrile;522625-98-5
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CAS No:
4-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]benzonitrile Basic Attributes
288.28 g/mol
288.03171130 g/mol
Computed Properties
Molecular Weight:288.28
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:288.03171130
Monoisotopic Mass:288.03171130
Topological Polar Surface Area:137
Heavy Atom Count:20
Complexity:514
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 4-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]benzonitrile
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