Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- OCCc1cc2ccccc2s1
- InChIKey
- AMFBMJOMAZEXAO-UHFFFAOYSA-N
- 分子式
- C10H10OS
- 平均分子量
- 178.25 g/mol
- 单同位素质量
- 178.04523611
COMPUTED
结构计算性质
- XLogP
- 2.6
- 极性表面积
- 48.5 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 2
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 149
ALIASES
名称与别名
30962-69-7Benzo[b]thiophene-2-ethanolDTXSID10299741Benzo(b)thiophene-2-ethanolRefChem:326211DTXCID502508762-BENZO[B]THIOPHEN-2-YL-ETHANOL2-(Benzo[b]thiophen-2-yl)ethanol2-(1-benzothiophen-2-yl)ethan-1-ol2-(1-benzothiophen-2-yl)ethanolMFCD018509582-Benzo[b]thiopheneethanolNSC1324112-Benzo[b]-thiopheneethanolSCHEMBL6615462-(benzothiophen-2-yl)ethanolSCHEMBL6240752AMFBMJOMAZEXAO-UHFFFAOYSA-NAKOS006277966NSC-132411
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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