HCID10977293

[2-(Benzylsulfanyl)phenyl]methanol

(2-benzylsulfanylphenyl)methanol

C14H14OS230.33 g/mol

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IDENTITY

结构与身份

标准SMILES: OCc1ccccc1SCc1ccccc1
InChIKey: JSUMKLFZCNFVRS-UHFFFAOYSA-N
分子式: C14H14OS
平均分子量: 230.33 g/mol
单同位素质量: 230.07653624

COMPUTED

结构计算性质

已同步

XLogP: 3
极性表面积: 45.5 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 4
重原子: 16
形式电荷: 0
复杂度: 189

ALIASES

名称与别名

共 11 条

[2-(benzylsulfanyl)phenyl]methanol4521-45-3(2-benzylsulfanylphenyl)methanolSCHEMBL1903485JSUMKLFZCNFVRS-UHFFFAOYSA-NEAA52145AKOS013125137CS-0232351EN300-126963G53400AA-516/30040030

REACTIONS

参与反应

10 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07098223B2

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uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07098223B2

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07935825B2

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uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07935825B2

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

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uspto-grants-2007_05 · 10.6084/m9.figshare.5104873.v1 · US07214678B2

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uspto-grants-2007_05 · 10.6084/m9.figshare.5104873.v1 · US07214678B2

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