HCID20550226

1,1-Dicyano-2-methylamino-2-[2-(3-isothiazolylmethylthio)-ethylamino]ethylene

2-[methylamino-[2-(1,2-thiazol-3-ylmethylsulfanyl)ethylamino]methylidene]propanedinitrile

C11H13N5S2279.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CNC(NCCSCc1ccsn1)=C(C#N)C#N
InChIKey: JUPXJLWBHNJOQS-UHFFFAOYSA-N
分子式: C11H13N5S2
平均分子量: 279.4 g/mol
单同位素质量: 279.06123778

COMPUTED

结构计算性质

等待补全

XLogP: 1.6
极性表面积: 138 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 7
重原子: 18
形式电荷: 0
复杂度: 371

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 4 条

SCHEMBL11234364JUPXJLWBHNJOQS-UHFFFAOYSA-N1,1-Dicyano-2-methylamino-2-[2-(3-isothiazolylmethylthio)-ethylamino]ethylene1,1-Dicyano-2-methylamino-2-[2-(3-isothiazolylmethylthio)ethylamino]ethylen

REACTIONS

参与反应

7 条

uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04220652

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04153704

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uspto-grants-1981_08 · 10.6084/m9.figshare.5104873.v1 · US04284640

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uspto-grants-1978_11 · 10.6084/m9.figshare.5104873.v1 · US04124717

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uspto-grants-1982_03 · 10.6084/m9.figshare.5104873.v1 · US04317829

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uspto-grants-1977_09 · 10.6084/m9.figshare.5104873.v1 · US04046907

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