Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- C[Si](C)(C)C#Cc1ccc2c(c1)C(=O)CCS2
- InChIKey
- GAIBGYJPEYRVOC-UHFFFAOYSA-N
- 分子式
- C14H16OSSi
- 平均分子量
- 260.43 g/mol
- 单同位素质量
- 260.06911284
COMPUTED
结构计算性质
- 极性表面积
- 42.4 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 2
- 重原子
- 17
- 形式电荷
- 0
- 复杂度
- 371
ALIASES
名称与别名
SCHEMBL6235870GAIBGYJPEYRVOC-UHFFFAOYSA-N2,3-dihydro-6-(2-trimethylsilylethynyl)-(4H)-1-benzothiopyran-4-one2.3-dihydro-6-(2-trimethylsilylethynyl)-(4H)-1-benzothiopyran-4-one
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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查看uspto-grants-1999_09 · 10.6084/m9.figshare.5104873.v1 · US05952345
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