MLS000571963 structure

MLS000571963

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide

Also Known As: BIM-0043191.P001|2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio]-N'-(4-methoxybenzylidene)acetohydrazide|2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]-N'-[(E)-(4-methoxyphenyl)methylidene]acetohydrazide|2-[(3,5-diketo-2H-1,2,4-triazin-6-yl)thio]-N-(p-anisylideneamino)acetamide|2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)thio]-N-[(4-methoxyphenyl)methylideneamino]acetamide|(E)-2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)-N'-(4-methoxybenzylidene)acetohydrazide|2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(4-methoxyphenyl)methylideneamino]acetamide|2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide|2-[[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-6-yl]sulfanyl]-N-[(4-methoxyphenyl)methylideneamino]ethanamide|N-[(1E)-2-(4-methoxyphenyl)-1-azavinyl]-2-(3,5-dioxo(2H,4H-1,2,4-triazin-6-ylt hio))acetamide

CAS: 301688-03-9
Molecular Formula C13H13N5O4S
Molecular Weight 335.06882 g/mol
LogP -0.2908
Topological Polar Surface Area 129.3 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
Rotatable Bonds 6
Exact Mass 335.06882
Monoisotopic Mass 335.06882
Heavy Atoms 23
Complexity 812.10486

Chemical Identifiers

CAS Number 301688-03-9
SMILES COC1=CC=C(C=C1)/C=N/NC(=O)CSC2=NNC(=O)NC2=O

Product Overview

MLS000571963 (CAS 301688-03-9), with molecular formula C13H13N5O4S and molecular weight 335.06882 g/mol. IUPAC: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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