HCID86739080

methyl 2-(dimethylamino)-N-[[[[[(diethoxyphosphinothioyl)methylamino]sulfinyl]methylamino]carbonyl]oxy]-2-oxoethanimidothioate

methyl N-(diethoxyphosphinothioylmethylsulfinamoylmethylcarbamoyloxy)-2-(dimethylamino)-2-oxoethanimidothioate

C12H25N4O6PS3448.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOP(=S)(CNS(=O)CNC(=O)ON=C(SC)C(=O)N(C)C)OCC
InChIKey: FKBXNIBRUVLHFO-UHFFFAOYSA-N
分子式: C12H25N4O6PS3
平均分子量: 448.5 g/mol
单同位素质量: 448.06738505

COMPUTED

结构计算性质

已同步

XLogP: 2.2
极性表面积: 195 Å²
氢键供体: 2
氢键受体: 11
可旋转键: 13
重原子: 26
形式电荷: 0
复杂度: 565

ALIASES

名称与别名

共 3 条

SCHEMBL11140315FKBXNIBRUVLHFO-UHFFFAOYSA-Nmethyl 2-(dimethylamino)-N-[[[[[(diethoxyphosphinothioyl)methylamino]sulfinyl]methylamino]carbonyl]oxy]-2-oxoethanimidothioate

REACTIONS

参与反应

1 条

uspto-grants-1983_10 · 10.6084/m9.figshare.5104873.v1 · US04410518

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