HCID11073791

Benzo[b]thiophene-2-thiol

1-benzothiophene-2-thiol

C8H6S2166.3 g/molCAS 30214-04-1

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IDENTITY

结构与身份

标准SMILES: Sc1cc2ccccc2s1
InChIKey: DODWVZSLOOEOKB-UHFFFAOYSA-N
分子式: C8H6S2
平均分子量: 166.3 g/mol
单同位素质量: 165.99109254

COMPUTED

结构计算性质

等待补全

XLogP: 3.4
极性表面积: 29.2 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 0
重原子: 10
形式电荷: 0
复杂度: 124

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 11 条

Benzo[b]thiophene-2-thiol1-BENZOTHIOPHENE-2-THIOL30214-04-12-benzothiophenethiol2-mercaptobenzothiophene2-mercaptobenzo[b]thiopheneSCHEMBL329714SCHEMBL329715DTXSID50454190DODWVZSLOOEOKB-UHFFFAOYSA-NEN300-1829948

REACTIONS

相关反应

10 条

uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05622950

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

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uspto-grants-1987_11 · 10.6084/m9.figshare.5104873.v1 · US04705791

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uspto-grants-1998_08 · 10.6084/m9.figshare.5104873.v1 · US05792768

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-2014_12 · 10.6084/m9.figshare.5104873.v1 · US08916550B2

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uspto-grants-1995_07 · 10.6084/m9.figshare.5104873.v1 · US05432177

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uspto-grants-2010_09 · 10.6084/m9.figshare.5104873.v1 · US07803790B2

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