HCID136896

4-(Methylsulfanyl)thiophenol

4-methylsulfanylbenzenethiol

C7H8S2156.3 g/molCAS 1122-97-0

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IDENTITY

结构与身份

标准SMILES: CSc1ccc(S)cc1
InChIKey: KYMOWQQIZINTJZ-UHFFFAOYSA-N
分子式: C7H8S2
平均分子量: 156.3 g/mol
单同位素质量: 156.0067426

COMPUTED

结构计算性质

等待补全

XLogP: 2.6
极性表面积: 26.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 1
重原子: 9
形式电荷: 0
复杂度: 75

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 33 条

4-(Methylthio)benzenethiol4-(Methylsulfanyl)thiophenolRefChem:516376626-618-64-(Methylthio)thiophenol1122-97-04-methylsulfanylbenzenethiolMFCD000827704-(methylsulfanyl)benzene-1-thiol4-Methylthiothiophenol4-Methylthio thiophenol4-(Methylsulfanyl)benzenethiol4-Mercaptothioanisolep-methylthiothiophenol4-methylthio-thiophenol4-Methylthiobenzenethiol4-(Methylthio)-benzenethiol4-methylsulfanyl-benzenethiolSCHEMBL487511SCHEMBL543729

REACTIONS

参与反应

14 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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uspto-grants-2001_04 · 10.6084/m9.figshare.5104873.v1 · US06214809B1

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uspto-grants-2001_04 · 10.6084/m9.figshare.5104873.v1 · US06214810B1

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uspto-grants-2004_10 · 10.6084/m9.figshare.5104873.v1 · US06800652B2

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uspto-grants-2004_10 · 10.6084/m9.figshare.5104873.v1 · US06800652B2

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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

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