4-amino-6-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazin-5-one
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![4-amino-6-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazin-5-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8faa47e30df142d7878f0a758337c35f.png "4-amino-6-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazin-5-one")
4-amino-6-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazin-5-one
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CAS No:
731780-31-7
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Formula:
C13H13N5O5S
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Chemical Name:
4-amino-6-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazin-5-one
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Synonyms:
MLS000770666;CHEMBL1348058;HMS2698A09;ZINC3336827;AKOS033670480;MCULE-9941723702;SMR000343856;Z19279025;4-amino-6-methyl-3-{[(6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one;731780-31-7
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CAS No:
4-amino-6-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazin-5-one Basic Attributes
351.34 g/mol
351.06373971 g/mol
Computed Properties
Molecular Weight:351.34
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:351.06373971
Monoisotopic Mass:351.06373971
Topological Polar Surface Area:161
Heavy Atom Count:24
Complexity:592
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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