HCID138278

2-Mercaptobenzenemethanol

(2-sulfanylphenyl)methanol

C7H8OS140.2 g/molCAS 4521-31-7

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IDENTITY

结构与身份

标准SMILES: OCc1ccccc1S
InChIKey: FYWFCRHZXORPFH-UHFFFAOYSA-N
分子式: C7H8OS
平均分子量: 140.2 g/mol
单同位素质量: 140.02958605

COMPUTED

结构计算性质

等待补全

XLogP: 1.4
极性表面积: 21.2 Å²
氢键供体: 2
氢键受体: 2
可旋转键: 1
重原子: 9
形式电荷: 0
复杂度: 85

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 28 条

4521-31-7o-Mercaptobenzyl alcoholDTXSID401964362-MercaptobenzenemethanolRefChem:474034DTXCID501189272-Mercaptobenzyl alcohol(2-mercaptophenyl)methanol(2-Sulfanylphenyl)methanol2-Mercaptobenzyl alcohol, tech.MFCD00014448Benzenemethanol, 2-mercapto-hydroxymethylthiophenolo-mercaptobenzylalcohol2-Hydroxymethylthiophenol2-(hydroxymethyl)thiophenol(2-Sulfanylphenyl)methanol #SCHEMBL423675SCHEMBL2642416SCHEMBL6766096

REACTIONS

相关反应

37 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 (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-1997_01 · 10.6084/m9.figshare.5104873.v1 · US05593986

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

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uspto-grants-2003_11 · 10.6084/m9.figshare.5104873.v1 · US06642268B2

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uspto-grants-1998_08 · 10.6084/m9.figshare.5104873.v1 · US05789584

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uspto-grants-2005_09 · 10.6084/m9.figshare.5104873.v1 · US06943189B2

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