HCID78195

Pentyl toluene-4-sulphonate

pentyl 4-methylbenzenesulfonate

C12H18O3S242.34 g/molCAS 4450-76-4

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IDENTITY

结构与身份

标准SMILES: CCCCCOS(=O)(=O)c1ccc(C)cc1
InChIKey: KOUCTZDKTJGHSS-UHFFFAOYSA-N
分子式: C12H18O3S
平均分子量: 242.34 g/mol
单同位素质量: 242.09766561

COMPUTED

结构计算性质

等待补全

XLogP: 3.2
极性表面积: 51.8 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 6
重原子: 16
形式电荷: 0
复杂度: 271

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 28 条

Pentyl 4-methylbenzenesulfonatePentyl toluene-4-sulphonate4450-76-4EINECS 224-693-6DTXSID30196203RefChem:860092DTXCID00118694224-693-6PENTYL TOLUENE-4-SULFONATEpentyl 4-methylbenzene-1-sulfonaten-Pentyl ToluenesulfonateBenzenesulfonic acid, 4-methyl-, pentyl esterDW5VSZ3H8SMFCD00093779pentyl p-toluenesulfonateUNII-DW5VSZ3H8Sp-ToluolsulfosaureamylesterSCHEMBL283871Pentyl 4-methylbenzenesulphonateSCHEMBL27173088

REACTIONS

参与反应

5 条

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

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uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08859596B2

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08188135B2

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uspto-grants-2012_10 · 10.6084/m9.figshare.5104873.v1 · US08288428B2

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