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6-[2-(2-nitrophenyl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione

6-[2-(2-nitrophenyl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione structure

CAS No:
307508-91-4
Formula:
C11H8N4O5S
Chemical Name:
6-[2-(2-nitrophenyl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione
Synonyms:
CBMicro_032576;Cambridge id 5750625;Oprea1_300865;Oprea1_340820;MLS000777031;CHEMBL1372604;HMS2751K15;MFCD01463137;STK857435;ZINC13638554;AKOS002276089;AKOS005632024;MCULE-6936175232;SMR000413420;ST030520;BIM-0032444.P001;SR-01000218983;SR-01000218983-1;2-[(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]-1-(2-nitrophenyl)ethanone;6-[2-(2-nitrophenyl)-2-oxoethylthio]-2H,4H-1,2,4-triazine-3,5-dione;6-[2-(2-Nitro-phenyl)-2-oxo-ethylsulfanyl]-2H-[1,2,4]triazine-3,5-dione;307508-91-4

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6-[2-(2-nitrophenyl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione Basic Attributes

Molecular Weight：

308.27 g/mol

Exact Mass：

308.02154054 g/mol

Characteristics

PSA：

159 Å²

Water Solubility：

40 [ug/mL]

Computed Properties

Molecular Weight:308.27
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:308.02154054
Monoisotopic Mass:308.02154054
Topological Polar Surface Area:159
Heavy Atom Count:21
Complexity:515
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-[2-(2-nitrophenyl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione

Basic Attributes
Characteristics
Computed Properties

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