HCID79776

Tosylacetonitrile

2-(4-methylphenyl)sulfonylacetonitrile

C9H9NO2S195.24 g/molCAS 5697-44-9

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(S(=O)(=O)CC#N)cc1
InChIKey: BBNNLJMGPASZPD-UHFFFAOYSA-N
分子式: C9H9NO2S
平均分子量: 195.24 g/mol
单同位素质量: 195.0353997

COMPUTED

结构计算性质

等待补全

XLogP: 1.3
极性表面积: 66.3 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 2
重原子: 13
形式电荷: 0
复杂度: 298

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 53 条

Tosylacetonitrile3XRA8X3VVZEINECS 227-173-7NSC-125922DTXSID90205547NSC 125922RefChem:898632DTXCID20128038227-173-75697-44-9p-Toluenesulfonylacetonitrile2-tosylacetonitrile[(4-Methylphenyl)sulfonyl]acetonitrilep-Tolylsulfonylacetonitrile4-Toluenesulfonylacetonitrile2-(4-methylbenzenesulfonyl)acetonitrile2-(4-methylphenyl)sulfonylacetonitrileMFCD00039487Acetonitrile, [(4-methylphenyl)sulfonyl]-(Toluene-4-sulfonyl)-acetonitrile

REACTIONS

参与反应

12 条

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

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

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-1978_11 · 10.6084/m9.figshare.5104873.v1 · US04126590

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uspto-grants-2009_12 · 10.6084/m9.figshare.5104873.v1 · US07625932B2

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uspto-grants-2009_12 · 10.6084/m9.figshare.5104873.v1 · US07625932B2

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uspto-grants-2012_10 · 10.6084/m9.figshare.5104873.v1 · US08283378B2

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