uspto-grants-1986_09 · 10.6084/m9.figshare.5104873.v1 · US04611059
查看IDENTITY
结构与身份
- 标准SMILES
- c1ccc2c(c1)CCS2
- InChIKey
- YJUFGFXVASPYFQ-UHFFFAOYSA-N
- 分子式
- C8H8S
- 平均分子量
- 136.22 g/mol
- 单同位素质量
- 136.03467143
COMPUTED
结构计算性质
- XLogP
- 2.5
- 极性表面积
- 25.3 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 0
- 重原子
- 9
- 形式电荷
- 0
- 复杂度
- 101
物化、安全与法规信息正在同步。
ALIASES
名称与别名
2,3-Dihydrobenzo[b]thiophene4565-32-62,3-Dihydrobenzo(b)thiopheneRefChem:10593852,3-DihydrobenzothiopheneBenzothiophane2,3-Dihydro-1-benzothiopheneDihydrobenzothiophene2,3-dihydro-benzo[b]thiopheneBenzo[b]thiophene, 2,3-dihydro-Benzo(b)thiophene, 2,3-dihydro-1-Thiaindan137597-56-91,3-DihydrobenzothiopheneSCHEMBL2928SCHEMBL89972,3-dihydrobenzo(b)thiophenSCHEMBL240717SCHEMBL328767SCHEMBL366355
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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