HCID54538245

2-(3-(Methylthio)phenyl)ethanol

2-(3-methylsulfanylphenyl)ethanol

C9H12OS168.26 g/mol

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IDENTITY

结构与身份

标准SMILES: CSc1cccc(CCO)c1
InChIKey: VQCONIRHXFFBTF-UHFFFAOYSA-N
分子式: C9H12OS
平均分子量: 168.26 g/mol
单同位素质量: 168.06088618

COMPUTED

结构计算性质

已同步

XLogP: 2
极性表面积: 45.5 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 3
重原子: 11
形式电荷: 0
复杂度: 106

ALIASES

名称与别名

共 14 条

1195945-56-22-(3-(Methylthio)phenyl)ethanol2-(3-methylsulfanylphenyl)ethanol3-(Methylthio)phenethyl alcohol2-[3-(methylsulfanyl)phenyl]ethan-1-olMFCD111134832-(3-Methylsulfanyl-phenyl)-ethanolSCHEMBL1561163SCHEMBL5180784VQCONIRHXFFBTF-UHFFFAOYSA-NAKOS006307725SB84882EN300-1634044F398837

REACTIONS

参与反应

4 条

uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09328071B2

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uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08362073B2

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uspto-grants-2013_05 · 10.6084/m9.figshare.5104873.v1 · US08445530B2

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uspto-grants-2014_08 · 10.6084/m9.figshare.5104873.v1 · US08802720B2

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