HCID95738

4-Mercaptobenzoic acid

4-sulfanylbenzoic acid

C7H6O2S154.19 g/molCAS 1074-36-8

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1ccc(S)cc1
InChIKey: LMJXSOYPAOSIPZ-UHFFFAOYSA-N
分子式: C7H6O2S
平均分子量: 154.19 g/mol
单同位素质量: 154.0088506

COMPUTED

结构计算性质

等待补全

XLogP: 2.3
极性表面积: 38.3 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 1
重原子: 10
形式电荷: 0
复杂度: 128

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 46 条

4-Mercaptobenzoic acid1074-36-84-Mercaptobenzoatepara-MercaptobenzoateDTXSID40148036RefChem:524400DTXCID5070527600-825-14-Sulfanylbenzoic acidBenzoic acid, 4-mercapto-4-Thiobenzoic acidp-Mercaptobenzoic acid4-Mercapto-benzoic acidMFCD000166174-Mercapto benzoic acidBenzoic acid, p-mercapto-4-mercaptobenzoic acid, technical grade4-MercaptobenzoicacidparacarboxythiophenolNSC 32022

REACTIONS

相关反应

67 条

uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05618839

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

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uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07384952B2

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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-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07566781B2

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uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05648385

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uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06353017B1

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