HCID15502978

2-(Methylsulfanylphenylamino-methylene)malonic acid diethyl ester

diethyl 2-[anilino(methylsulfanyl)methylidene]propanedioate

C15H19NO4S309.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)C(C(=O)OCC)=C(Nc1ccccc1)SC
InChIKey: HTJKVCKNXFKHGJ-UHFFFAOYSA-N
分子式: C15H19NO4S
平均分子量: 309.4 g/mol
单同位素质量: 309.10347926

COMPUTED

结构计算性质

等待补全

XLogP: 4
极性表面积: 89.9 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 9
重原子: 21
形式电荷: 0
复杂度: 369

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 6 条

SCHEMBL398238HTJKVCKNXFKHGJ-UHFFFAOYSA-N2-(methylsulfanylphenylamino-methylene)malonic acid diethyl ester55139-76-9DB-3128892-(methylsulfanyl-phenylamino-methylene)-malonic acid diethyl ester

REACTIONS

参与反应

21 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829204B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829204B2

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uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08741925B2

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uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08741925B2

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uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08101767B2

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uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08101767B2

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uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08629162B2

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uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08629162B2

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